2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-dihydrobenzimidazole

Formula:C10H7N4O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-dihydrobenzimidazole is a drug-like molecule.

MolName	2-[(Z)-3-chloro-1,3-dinitroprop-2-enylidene]-1,3-dihydrobenzimidazole
MolecularFormula	C10H7N4O4Cl
Smiles	[O-][N+](C(/C=C(/[N+]([O-])=O)\Cl)=C1Nc(cccc2)c2N1)=O
InChI	InChI=1S/C10H7ClN4O4/c11-9(15(18)19)5-8(14(16)17)10-12-6-3-1-2-4-7(6)13-10/h1-5,12-13H
InChIK	OQTBGTQYMKJGSD-UHFFFAOYSA-N
TotalMolweight	282.643
Molweight	282.643
MonoisotopicMass	282.015583
CLogP	0.7191
CLogS	-5.403
H Acceptors	8
H Donors	2
TotalSurfaceArea	193.07
Relative PSA	0.43383
PolarSurfaceArea	115.7
Druglikeness	-5.0089
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	2
StereoCon

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