[(E)-[amino(phenyl)methylidene]amino] 3,5-dinitrobenzoate

Formula:C14H10N4O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(phenyl)methylidene]amino] 3,5-dinitrobenzoate is a drug-like molecule.

MolName	[(E)-[amino(phenyl)methylidene]amino] 3,5-dinitrobenzoate
MolecularFormula	C14H10N4O6
Smiles	N/C(/c1ccccc1)=N/OC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C14H10N4O6/c15-13(9-4-2-1-3-5-9)16-24-14(19)10-6-11(17(20)21)8-12(7-10)18(22)23/h1-8H,(H2,15,16)
InChIK	GHNOCKKAZMFEHU-UHFFFAOYSA-N
TotalMolweight	330.255
Molweight	330.255
MonoisotopicMass	330.060036
CLogP	1.2289
CLogS	-4.456
H Acceptors	10
H Donors	1
TotalSurfaceArea	239.6
Relative PSA	0.46185
PolarSurfaceArea	156.32
Druglikeness	-7.8089
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	7
AcidicOxygens	2
StereoCon

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