(E)-3-(4-nitrophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-en-1-imine

Formula:C21H14N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-nitrophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-en-1-imine is a drug-like molecule.

MolName	(E)-3-(4-nitrophenyl)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)prop-2-en-1-imine
MolecularFormula	C21H14N4O3
Smiles	[O-][N+](c1ccc(/C=C/C=N/c(cc2)cc3c2oc(-c2ccncc2)n3)cc1)=O
InChI	InChI=1S/C21H14N4O3/c26-25(27)18-6-3-15(4-7-18)2-1-11-23-17-5-8-20-19(14-17)24-21(28-20)16-9-12-22-13-10-16/h1-14H
InChIK	SHCBMDRLQCEMRS-UHFFFAOYSA-N
TotalMolweight	370.367
Molweight	370.367
MonoisotopicMass	370.106591
CLogP	2.784
CLogS	-6.105
H Acceptors	7
TotalSurfaceArea	289.52
Relative PSA	0.26934
PolarSurfaceArea	97.1
Druglikeness	-5.1055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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