(E)-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide

Formula:C23H15N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
MolecularFormula	C23H15N4O4ClS
Smiles	[O-][N+](c1cccc(/C=C/C(NC(Nc(cc2)cc3c2oc(-c(cccc2)c2Cl)n3)=S)=O)c1)=O
InChI	InChI=1S/C23H15ClN4O4S/c24-18-7-2-1-6-17(18)22-26-19-13-15(9-10-20(19)32-22)25-23(33)27-21(29)11-8-14-4-3-5-16(12-14)28(30)31/h1-13H,(H2,25,27,29,33)
InChIK	UWNGDEMCLNOOIK-UHFFFAOYSA-N
TotalMolweight	478.915
Molweight	478.915
MonoisotopicMass	478.050253
CLogP	4.6579
CLogS	-8.229
H Acceptors	8
H Donors	2
TotalSurfaceArea	354.8
Relative PSA	0.3367
PolarSurfaceArea	145.07
Druglikeness	-5.0905
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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