N-[(E)-cyclopent-2-en-1-ylideneamino]-2,4-dinitroaniline

Formula:C11H10N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-cyclopent-2-en-1-ylideneamino]-2,4-dinitroaniline is a drug-like molecule.

MolName	N-[(E)-cyclopent-2-en-1-ylideneamino]-2,4-dinitroaniline
MolecularFormula	C11H10N4O4
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C1/C=CCC1)=O
InChI	InChI=1S/C11H10N4O4/c16-14(17)9-5-6-10(11(7-9)15(18)19)13-12-8-3-1-2-4-8/h1,3,5-7,13H,2,4H2
InChIK	FJEHTZZKCKTXSY-UHFFFAOYSA-N
TotalMolweight	262.224
Molweight	262.224
MonoisotopicMass	262.070206
CLogP	2.131
CLogS	-3.433
H Acceptors	8
H Donors	1
TotalSurfaceArea	195.55
Relative PSA	0.42859
PolarSurfaceArea	116.03
Druglikeness	-7.2793
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	4
AcidicOxygens	2
StereoCon

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