3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylate

Formula:C19H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylate is a drug-like molecule.

MolName	3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-nitro-1H-indole-2-carboxylate
MolecularFormula	C19H13N3O7
Smiles	[O-]C(c1c(CCNC(c(cccc2)c2C([O-])=O)=O)c(cc(cc2)[N+]([O-])=O)c2[nH]1)=O
InChI	InChI=1S/C19H15N3O7/c23-17(12-3-1-2-4-13(12)18(24)25)20-8-7-11-14-9-10(22(28)29)5-6-15(14)21-16(11)19(26)27/h1-6,9,21H,7-8H2,(H,20,23)(H,24,25)(H,26,27)/p-2
InChIK	SXXUZTMZMXJAMD-UHFFFAOYSA-L
TotalMolweight	395.326
Molweight	395.326
MonoisotopicMass	395.075352
CLogP	-3.0634
CLogS	-4.091
H Acceptors	10
H Donors	2
TotalSurfaceArea	288.15
Relative PSA	0.42877
PolarSurfaceArea	170.97
Druglikeness	-2.2322
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	3
StereoCon

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