3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylate

Formula:C19H13N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylate is a drug-like molecule.

MolName	3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-1H-indole-2-carboxylate
MolecularFormula	C19H13N2O5
Smiles	[O-]C(c([nH]c1c2cccc1)c2NC(/C=C/c(cc1)cc2c1OCO2)=O)=O
InChI	InChI=1S/C19H14N2O5/c22-16(8-6-11-5-7-14-15(9-11)26-10-25-14)21-17-12-3-1-2-4-13(12)20-18(17)19(23)24/h1-9,20H,10H2,(H,21,22)(H,23,24)/p-1
InChIK	JKHKOWTVDYDCFZ-UHFFFAOYSA-M
TotalMolweight	349.321
Molweight	349.321
MonoisotopicMass	349.082448
CLogP	0.7502
CLogS	-4.771
H Acceptors	7
H Donors	2
TotalSurfaceArea	258.44
Relative PSA	0.33203
PolarSurfaceArea	103.48
Druglikeness	1.0095
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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