(E)-N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-(4-chlorophenyl)prop-2-enamide

Formula:C22H14N2O2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-(4-chlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-(4-chlorophenyl)prop-2-enamide
MolecularFormula	C22H14N2O2Cl2
Smiles	O=C(/C=C/c(cc1)ccc1Cl)Nc(cc(cc1)-c2nc(cccc3)c3o2)c1Cl
InChI	InChI=1S/C22H14Cl2N2O2/c23-16-9-5-14(6-10-16)7-12-21(27)25-19-13-15(8-11-17(19)24)22-26-18-3-1-2-4-20(18)28-22/h1-13H,(H,25,27)
InChIK	AQWIOIGAMOVDKM-UHFFFAOYSA-N
TotalMolweight	409.271
Molweight	409.271
MonoisotopicMass	408.043232
CLogP	6.0031
CLogS	-7.96
H Acceptors	4
H Donors	1
TotalSurfaceArea	302.38
Relative PSA	0.16397
PolarSurfaceArea	55.13
Druglikeness	-0.053179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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