Chem Chlorpyriphos Meghamani

Compound 17
  CheckMol                        TMF02:r0:m0
MF=C9H11Cl3NO3PS MW=350.58
 18 18  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    0.7541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6159    0.0118   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3197    2.2624   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9238    0.7659   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0353    3.0165   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6276    3.0165   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2317    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9356    2.2741   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2435   -1.4611   -0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2435    3.0283   -0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553   -2.9458   -0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9591   -2.2034   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5514   -2.2034   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6748   -1.4493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8593   -1.4493   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904   -2.1917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1673   -2.1917   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  4  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8  1  0  0  0  0
  5  9 02  0  1  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
  7  9 01  0  1  0  0
M  END

Chlorpyriphos

₹ 0.00 0.00

Chemical Name - Chlorpyriphos
Mol Weight - 350.589
Smiles - CCOP(OCC)(Oc(nc(c(Cl)c1)Cl)c1Cl)=S

Property Name	Property Value
Mol Name	Chlorpyriphos
Molweight	350.589
Monoisotopic Mass	348.926282
Clogp	4.8065
Clogs	-5.459
H Acceptors	4
Total Surface Area	239.05
Relative Psa	0.30517
Polar Surface Area	82.48
Druglikeness	-9.3724
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Shape Index	0.55556
Molecular Flexibility	0.58576
Molecular Complexity	0.71389
Fragments	1
Non H Atoms	18
Non Ch Atoms	9
Electronegative Atoms	9
Rotatable Bonds	6
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	9
Symmetric Atoms	3
Aromatic Nitrogens	1
Smiles	CCOP(OCC)(Oc(nc(c(Cl)c1)Cl)c1Cl)=S
InChIKey	InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
InChI	SBPBAQFWLVIOKP-UHFFFAOYSA-N

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Chlorpyriphos