2,4-dinitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenolate

Formula:C14H8N5O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,4-dinitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenolate is not a drug-like molecule.

MolName	2,4-dinitro-6-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)iminomethyl]phenolate
MolecularFormula	C14H8N5O6
Smiles	[O-]c(c(/C=N/c(cc1)cc(N2)c1NC2=O)cc([N+]([O-])=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C14H9N5O6/c20-13-7(3-9(18(22)23)5-12(13)19(24)25)6-15-8-1-2-10-11(4-8)17-14(21)16-10/h1-6,20H,(H2,16,17,21)/p-1
InChIK	IGRVGPGVBYBJOJ-UHFFFAOYSA-M
TotalMolweight	342.247
Molweight	342.247
MonoisotopicMass	342.04746
CLogP	-1.8418
CLogS	-4.724
H Acceptors	11
H Donors	2
TotalSurfaceArea	239.82
Relative PSA	0.51118
PolarSurfaceArea	168.19
Druglikeness	-4.4343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	2
AcidicOxygens	2
StereoCon

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