[(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 4-phenoxybenzoate

Formula:C25H17N3O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 4-phenoxybenzoate is a drug-like molecule.

MolName	[(E)-[(4-nitrophenyl)-pyridin-4-ylmethylidene]amino] 4-phenoxybenzoate
MolecularFormula	C25H17N3O5
Smiles	[O-][N+](c(cc1)ccc1/C(/c1ccncc1)=N\OC(c(cc1)ccc1Oc1ccccc1)=O)=O
InChI	InChI=1S/C25H17N3O5/c29-25(20-8-12-23(13-9-20)32-22-4-2-1-3-5-22)33-27-24(19-14-16-26-17-15-19)18-6-10-21(11-7-18)28(30)31/h1-17H
InChIK	CXBWLHKPLCOBLI-UHFFFAOYSA-N
TotalMolweight	439.426
Molweight	439.426
MonoisotopicMass	439.116822
CLogP	4.5879
CLogS	-7.509
H Acceptors	8
TotalSurfaceArea	335.69
Relative PSA	0.25601
PolarSurfaceArea	106.6
Druglikeness	-7.6569
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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