4-[[4-(4-nitrophenyl)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol

Formula:C22H15N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[4-(4-nitrophenyl)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol is a drug-like molecule.

MolName	4-[[4-(4-nitrophenyl)phenyl]iminomethyl]-2-phenyl-1,3-oxazol-5-ol
MolecularFormula	C22H15N3O4
Smiles	[O-][N+](c(cc1)ccc1-c(cc1)ccc1/N=C/c1c(O)oc(-c2ccccc2)n1)=O
InChI	InChI=1S/C22H15N3O4/c26-22-20(24-21(29-22)17-4-2-1-3-5-17)14-23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)25(27)28/h1-14,26H
InChIK	NBGHVNMJIUCDCX-UHFFFAOYSA-N
TotalMolweight	385.378
Molweight	385.378
MonoisotopicMass	385.106257
CLogP	4.0461
CLogS	-7.551
H Acceptors	7
H Donors	1
TotalSurfaceArea	295.77
Relative PSA	0.27085
PolarSurfaceArea	104.44
Druglikeness	-5.705
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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