2,4-dinitro-N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline

Formula:C26H20N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline is not a drug-like molecule.

MolName	2,4-dinitro-N-[(E)-[2-phenyl-1-(4-phenylphenyl)ethylidene]amino]aniline
MolecularFormula	C26H20N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc1ccccc1)/c(cc1)ccc1-c1ccccc1)=O
InChI	InChI=1S/C26H20N4O4/c31-29(32)23-15-16-24(26(18-23)30(33)34)27-28-25(17-19-7-3-1-4-8-19)22-13-11-21(12-14-22)20-9-5-2-6-10-20/h1-16,18,27H,17H2
InChIK	ROMKGHAXECHKFK-UHFFFAOYSA-N
TotalMolweight	452.469
Molweight	452.469
MonoisotopicMass	452.148456
CLogP	6.0367
CLogS	-7.65
H Acceptors	8
H Donors	1
TotalSurfaceArea	348.07
Relative PSA	0.24078
PolarSurfaceArea	116.03
Druglikeness	-3.9632
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	3
Symmetricatoms	6
AcidicOxygens	2
StereoCon

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