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

Formula:C15H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[2-(3-carboxylatopropanoylamino)ethyl]-5-nitro-1H-indole-2-carboxylate is a drug-like molecule.

MolName	3-[2-(3-carboxylatopropanoylamino)ethyl]-5-nitro-1H-indole-2-carboxylate
MolecularFormula	C15H13N3O7
Smiles	[O-]C(CCC(NCCc1c(C([O-])=O)[nH]c(cc2)c1cc2[N+]([O-])=O)=O)=O
InChI	InChI=1S/C15H15N3O7/c19-12(3-4-13(20)21)16-6-5-9-10-7-8(18(24)25)1-2-11(10)17-14(9)15(22)23/h1-2,7,17H,3-6H2,(H,16,19)(H,20,21)(H,22,23)/p-2
InChIK	VIXZRLBETIOAAB-UHFFFAOYSA-L
TotalMolweight	347.282
Molweight	347.282
MonoisotopicMass	347.075352
CLogP	-4.3598
CLogS	-2.923
H Acceptors	10
H Donors	2
TotalSurfaceArea	255.91
Relative PSA	0.48279
PolarSurfaceArea	170.97
Druglikeness	-3.0622
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	3
StereoCon

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