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

Formula:C14H11N5O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[amino(phenyl)methylidene]amino]-3,5-dinitrobenzamide is a drug-like molecule.

MolName	N-[(E)-[amino(phenyl)methylidene]amino]-3,5-dinitrobenzamide
MolecularFormula	C14H11N5O5
Smiles	N/C(/c1ccccc1)=N/NC(c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C14H11N5O5/c15-13(9-4-2-1-3-5-9)16-17-14(20)10-6-11(18(21)22)8-12(7-10)19(23)24/h1-8H,(H2,15,16)(H,17,20)
InChIK	JZWCGXYNFCGCHM-UHFFFAOYSA-N
TotalMolweight	329.271
Molweight	329.271
MonoisotopicMass	329.07602
CLogP	0.5124
CLogS	-4.406
H Acceptors	10
H Donors	2
TotalSurfaceArea	241.06
Relative PSA	0.46511
PolarSurfaceArea	159.12
Druglikeness	-2.0764
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	7
AcidicOxygens	2
StereoCon

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