N-[(E)-(4-chloro-1-phenylbutylidene)amino]-2,4-dinitroaniline

Formula:C16H15N4O4Cl Mutagenic:low Tumorigenic:high Reproductive Effective:high N-[(E)-(4-chloro-1-phenylbutylidene)amino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-(4-chloro-1-phenylbutylidene)amino]-2,4-dinitroaniline
MolecularFormula	C16H15N4O4Cl
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C(\CCCCl)/c1ccccc1)=O
InChI	InChI=1S/C16H15ClN4O4/c17-10-4-7-14(12-5-2-1-3-6-12)18-19-15-9-8-13(20(22)23)11-16(15)21(24)25/h1-3,5-6,8-9,11,19H,4,7,10H2
InChIK	GROXYQIOZGRIHQ-UHFFFAOYSA-N
TotalMolweight	362.772
Molweight	362.772
MonoisotopicMass	362.078183
CLogP	4.0737
CLogS	-5.37
H Acceptors	8
H Donors	1
TotalSurfaceArea	271.49
Relative PSA	0.3087
PolarSurfaceArea	116.03
Druglikeness	-9.6662
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
AcidicOxygens	2
StereoCon

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