3-[[(E)-3-(2,5-dichlorothiophen-3-yl)-3-oxoprop-1-enyl]amino]benzonitrile

Formula:C14H8N2OCl2S Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-[[(E)-3-(2,5-dichlorothiophen-3-yl)-3-oxoprop-1-enyl]amino]benzonitrile is a drug-like molecule.

MolName	3-[[(E)-3-(2,5-dichlorothiophen-3-yl)-3-oxoprop-1-enyl]amino]benzonitrile
MolecularFormula	C14H8N2OCl2S
Smiles	N#Cc1cccc(N/C=C/C(c(cc(s2)Cl)c2Cl)=O)c1
InChI	InChI=1S/C14H8Cl2N2OS/c15-13-7-11(14(16)20-13)12(19)4-5-18-10-3-1-2-9(6-10)8-17/h1-7,18H
InChIK	BSQCTZDEOKGVOV-UHFFFAOYSA-N
TotalMolweight	323.203
Molweight	323.203
MonoisotopicMass	321.973437
CLogP	3.7159
CLogS	-5.965
H Acceptors	3
H Donors	1
TotalSurfaceArea	237.22
Relative PSA	0.24627
PolarSurfaceArea	81.13
Druglikeness	-2.3003
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	3-halo-enone
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
StereoCon

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