N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide

Formula:C20H14N3O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide is a drug-like molecule.

MolName	N-[4-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
MolecularFormula	C20H14N3O4ClS
Smiles	[O-][N+](c(cc(/C=C/C(Nc(cc1)ccc1NC(c1cccs1)=O)=O)cc1)c1Cl)=O
InChI	InChI=1S/C20H14ClN3O4S/c21-16-9-3-13(12-17(16)24(27)28)4-10-19(25)22-14-5-7-15(8-6-14)23-20(26)18-2-1-11-29-18/h1-12H,(H,22,25)(H,23,26)
InChIK	XPQDXIOGZGNFOU-UHFFFAOYSA-N
TotalMolweight	427.867
Molweight	427.867
MonoisotopicMass	427.039354
CLogP	3.8348
CLogS	-6.216
H Acceptors	7
H Donors	2
TotalSurfaceArea	312.73
Relative PSA	0.31906
PolarSurfaceArea	132.26
Druglikeness	-3.0504
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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