N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-chloro-1-benzothiophene-2-carboxamide

Formula:C19H13N2O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-chloro-1-benzothiophene-2-carboxamide is a drug-like molecule.

MolName	N-[(Z)-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enylidene]amino]-3-chloro-1-benzothiophene-2-carboxamide
MolecularFormula	C19H13N2O3ClS
Smiles	O=C(c(sc1c2cccc1)c2Cl)N/N=C\C=C\c(cc1)cc2c1OCO2
InChI	InChI=1S/C19H13ClN2O3S/c20-17-13-5-1-2-6-16(13)26-18(17)19(23)22-21-9-3-4-12-7-8-14-15(10-12)25-11-24-14/h1-10H,11H2,(H,22,23)
InChIK	SEXWSTXXUHDFPM-UHFFFAOYSA-N
TotalMolweight	384.842
Molweight	384.842
MonoisotopicMass	384.03354
CLogP	4.8585
CLogS	-6.809
H Acceptors	5
H Donors	1
TotalSurfaceArea	279.71
Relative PSA	0.27303
PolarSurfaceArea	88.16
Druglikeness	5.5252
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
StereoCon

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