N-[(E)-[(E)-1,4-diphenylbut-3-en-2-ylidene]amino]-2,4-dinitroaniline

Formula:C22H18N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[(E)-1,4-diphenylbut-3-en-2-ylidene]amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-[(E)-1,4-diphenylbut-3-en-2-ylidene]amino]-2,4-dinitroaniline
MolecularFormula	C22H18N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\Cc1ccccc1)/C=C/c1ccccc1)=O
InChI	InChI=1S/C22H18N4O4/c27-25(28)20-13-14-21(22(16-20)26(29)30)24-23-19(15-18-9-5-2-6-10-18)12-11-17-7-3-1-4-8-17/h1-14,16,24H,15H2
InChIK	ROCZXJBGYRREPE-UHFFFAOYSA-N
TotalMolweight	402.409
Molweight	402.409
MonoisotopicMass	402.132806
CLogP	4.9983
CLogS	-5.71
H Acceptors	8
H Donors	1
TotalSurfaceArea	314.81
Relative PSA	0.26622
PolarSurfaceArea	116.03
Druglikeness	-3.805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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