(E)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide

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

MolName	(E)-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-phenylprop-2-enamide
MolecularFormula	C22H14N2O2Cl2
Smiles	O=C(/C=C/c1ccccc1)Nc(cc1)cc2c1oc(-c(cc(cc1)Cl)c1Cl)n2
InChI	InChI=1S/C22H14Cl2N2O2/c23-15-7-9-18(24)17(12-15)22-26-19-13-16(8-10-20(19)28-22)25-21(27)11-6-14-4-2-1-3-5-14/h1-13H,(H,25,27)
InChIK	IZNIPJRJLRABGX-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	high
Reproductive Effective	high
Irritant	none
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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