(E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine

Formula:C22H14N2OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine is not a drug-like molecule.

MolName	(E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine
MolecularFormula	C22H14N2OCl2
Smiles	Clc1cc(Cl)c(/C=C/C=N/c2cc(-c3nc(cccc4)c4o3)ccc2)cc1
InChI	InChI=1S/C22H14Cl2N2O/c23-17-11-10-15(19(24)14-17)6-4-12-25-18-7-3-5-16(13-18)22-26-20-8-1-2-9-21(20)27-22/h1-14H
InChIK	XIMDVYJOEZPUNX-UHFFFAOYSA-N
TotalMolweight	393.272
Molweight	393.272
MonoisotopicMass	392.048317
CLogP	5.9185
CLogS	-7.912
H Acceptors	3
TotalSurfaceArea	297.93
Relative PSA	0.12281
PolarSurfaceArea	38.39
Druglikeness	0.1
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Aromatic Nitrogens	1
StereoCon

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1 - (E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine | 2 - (E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)prop-2-en-1-imine

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