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

Formula:C23H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:high N-[(Z)-[(2E)-2-benzylidene-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline is not a drug-like molecule.

MolName	N-[(Z)-[(2E)-2-benzylidene-3,4-dihydronaphthalen-1-ylidene]amino]-2,4-dinitroaniline
MolecularFormula	C23H18N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(/C(/CC1)=C/c2ccccc2)\c2c1cccc2)=O
InChI	InChI=1S/C23H18N4O4/c28-26(29)19-12-13-21(22(15-19)27(30)31)24-25-23-18(14-16-6-2-1-3-7-16)11-10-17-8-4-5-9-20(17)23/h1-9,12-15,24H,10-11H2
InChIK	IEHCFWGUERFWOB-UHFFFAOYSA-N
TotalMolweight	414.42
Molweight	414.42
MonoisotopicMass	414.132806
CLogP	5.4176
CLogS	-6.412
H Acceptors	8
H Donors	1
TotalSurfaceArea	313.28
Relative PSA	0.26752
PolarSurfaceArea	116.03
Druglikeness	-4.2399
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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

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