Chem Diamino Benzoic Acid Dsrpl

Compound 132
  CheckMol                        TMF02:r0:m0
MF=C7H8N2O2 MW=152.15
 11 11  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4951   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290   -2.2426   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2815   -2.2426   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5749   -1.4832   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2696   -3.7377   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630    0.0356   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683   -2.2189   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5630   -4.4853   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1616   -1.4595   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8564   -3.7140   -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 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  8 10  1  0  0  0  0
  8 11 02  0  1  0  0
  9 11 01  0  1  0  0
M  END

diamino benzoic acid

₹ 0.00 0.00

Chemical Name - diamino benzoic acid
Mol Weight - 152.153
Smiles - Nc1cccc(C(O)=O)c1N

Property Name	Property Value
Mol Name	diamino benzoic acid
Molweight	152.153
Monoisotopic Mass	152.058578
Clogp	-0.2099
Clogs	-1.781
H Acceptors	4
H Donors	3
Total Surface Area	114.4
Relative Psa	0.49545
Polar Surface Area	89.34
Druglikeness	-1.5411
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	1
Shape Index	0.54545
Molecular Flexibility	0.35822
Molecular Complexity	0.73271
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Amines	2
Aromatic Amines	2
Acidic Oxygens	1
Smiles	Nc1cccc(C(O)=O)c1N
InChIKey	InChI=1S/C7H8N2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,8-9H2,(H,10,11)
InChI	KKTUQAYCCLMNOA-UHFFFAOYSA-N

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diamino benzoic acid