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190071-25-1 | 1H-Indole-5-carboxylic acid, 2-phenyl-, methyl ester
CAS No: 190071-25-1 Catalog No: AG002EAF MDL No:
Product Description
Catalog Number:
AG002EAF
Chemical Name:
1H-Indole-5-carboxylic acid, 2-phenyl-, methyl ester
CAS Number:
190071-25-1
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
IUPAC Name:
methyl 2-phenyl-1H-indole-5-carboxylate
InChI:
InChI=1S/C16H13NO2/c1-19-16(18)12-7-8-14-13(9-12)10-15(17-14)11-5-3-2-4-6-11/h2-10,17H,1H3
InChI Key:
QRCCAIGGRLMANJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)cc([nH]2)c1ccccc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Structure-activity relationships of 2-aryl-1H-indole inhibitors of the NorA efflux pump in Staphylococcus aureus. | Bioorganic & medicinal chemistry letters 20080801 |
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