N-[(Z)-[(2E)-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline

Formula:C27H20N4O4 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(Z)-[(2E)-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-[(2E)-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline
MolecularFormula	C27H20N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C(/CC1)=C/c2cccc3ccccc23)\c2c1cccc2)=O
InChI	InChI=1S/C27H20N4O4/c32-30(33)22-14-15-25(26(17-22)31(34)35)28-29-27-21(13-12-19-7-2-4-11-24(19)27)16-20-9-5-8-18-6-1-3-10-23(18)20/h1-11,14-17,28H,12-13H2
InChIK	NKTZDNMXXDMMGF-UHFFFAOYSA-N
TotalMolweight	464.48
Molweight	464.48
MonoisotopicMass	464.148456
CLogP	6.612
CLogS	-8.018
H Acceptors	8
H Donors	1
TotalSurfaceArea	347.88
Relative PSA	0.24092
PolarSurfaceArea	116.03
Druglikeness	-4.2399
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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1 - N-[(Z)-[(2E)-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline | 2 - N-[(Z)-[(2E)-2-(naphthalen-1-ylmethylidene)-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline

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