3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide

Formula:C23H17N4O4ClS Mutagenic:high Tumorigenic:high Reproductive Effective:high 3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide is a drug-like molecule.

MolName	3-chloro-N-[4-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]phenyl]benzamide
MolecularFormula	C23H17N4O4ClS
Smiles	[O-][N+](c1cccc(/C=C/C(NC(Nc(cc2)ccc2NC(c2cccc(Cl)c2)=O)=S)=O)c1)=O
InChI	InChI=1S/C23H17ClN4O4S/c24-17-5-2-4-16(14-17)22(30)25-18-8-10-19(11-9-18)26-23(33)27-21(29)12-7-15-3-1-6-20(13-15)28(31)32/h1-14H,(H,25,30)(H2,26,27,29,33)
InChIK	ZCCRVBQKBZSUJG-UHFFFAOYSA-N
TotalMolweight	480.931
Molweight	480.931
MonoisotopicMass	480.065903
CLogP	4.1506
CLogS	-6.751
H Acceptors	8
H Donors	3
TotalSurfaceArea	360.96
Relative PSA	0.32934
PolarSurfaceArea	148.14
Druglikeness	-5.5047
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

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