N-(3-amino-1H-isoindol-2-ium-2-yl)-4-nitrobenzamide

Formula:C15H13N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(3-amino-1H-isoindol-2-ium-2-yl)-4-nitrobenzamide is a drug-like molecule.

MolName	N-(3-amino-1H-isoindol-2-ium-2-yl)-4-nitrobenzamide
MolecularFormula	C15H13N4O3
Smiles	NC(c1c(C2)cccc1)=[N+]2NC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C15H12N4O3/c16-14-13-4-2-1-3-11(13)9-18(14)17-15(20)10-5-7-12(8-6-10)19(21)22/h1-8,16H,9H2,(H,17,20)/p+1
InChIK	SMBOMYBRJTWYCU-UHFFFAOYSA-O
TotalMolweight	297.293
Molweight	297.293
MonoisotopicMass	297.098766
CLogP	-0.6582
CLogS	-1.645
H Acceptors	7
H Donors	2
TotalSurfaceArea	207.69
Relative PSA	0.31292
PolarSurfaceArea	103.95
Druglikeness	-5.2717
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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