Software for chemicals, Pharmaceutical & Biotech Industry

Compound 133
  CheckMol                        TMF02:r0:m0
MF=C12H13NO2 MW=203.24
 15 16  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4962   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3299   -2.2442   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2824   -2.2442   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -1.4843   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8710   -2.2324   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1653   -1.4724   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.5308   -2.0780   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.3078    0.0356   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    7.5283   -0.9499   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.9820   -3.5029   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.7683    0.3562   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    8.9888   -1.2468   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    8.4426   -3.7997   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.4400   -2.6717   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  2  0  0
  8 11 01  0  1  0  0
  9 12 01  0  1  0  0
 10 13 01  0  1  0  0
 11 14 02  0  1  0  0
 13 15 02  0  1  0  0
 10 12 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

Indole-3-butyric acid

₹ 0.00 0.00

Chemical Name - Indole-3-butyric acid
Mol Weight - 203.24
Smiles - OC(CCCc1c[nH]c2c1cccc2)=O

Property Name	Property Value
Mol Name	Indole-3-butyric acid
Molweight	203.24
Monoisotopic Mass	203.094629
Clogp	2.091
Clogs	-2.659
H Acceptors	3
H Donors	2
Total Surface Area	162.81
Relative Psa	0.24648
Polar Surface Area	53.09
Druglikeness	-4.5535
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.66667
Molecular Flexibility	0.48717
Molecular Complexity	0.67019
Fragments	1
Non H Atoms	15
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3 Atoms	4
Aromatic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(CCCc1c[nH]c2c1cccc2)=O
InChIKey	InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChI	JTEDVYBZBROSJT-UHFFFAOYSA-N

Copyrights

The copyrights of data, design, and listing all reserved to Global Manufacturers and its associated sites.

Company profile , trade leads and products are user generated content.

Molecule Properties are generated theoretically any objection please contact us

Shipping

Usually delivered in 3-4 days

Enter pincode for exact delivery dates/charges

Credit / Debit Card Payment

We accept all major credit / debit card for payment, you can also pay through online banking.

Cash On Delivery

If Available. Select Cash on Delivery (CoD) payment option while placing the order and later, pay in cash at the time of actual delivery of product. No advance payment needed.

Click to Load Molecule
1 - Indole-3-butyric acid
2 - Indole-3-butyric acid

Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

Indole-3-butyric acid