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101134-91-2 | 1H-Indole-2-carboxylic acid, 5-[(1H-indol-2-ylcarbonyl)amino]-
CAS No: 101134-91-2 Catalog No: AG0003TN MDL No:
Product Description
Catalog Number:
AG0003TN
Chemical Name:
1H-Indole-2-carboxylic acid, 5-[(1H-indol-2-ylcarbonyl)amino]-
CAS Number:
101134-91-2
Molecular Formula:
C18H13N3O3
Molecular Weight:
319.3141
IUPAC Name:
5-(1H-indole-2-carbonylamino)-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C18H13N3O3/c22-17(15-8-10-3-1-2-4-13(10)20-15)19-12-5-6-14-11(7-12)9-16(21-14)18(23)24/h1-9,20-21H,(H,19,22)(H,23,24)
InChI Key:
UGSFWARHEQMCHX-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c([nH]1)cccc2)Nc1ccc2c(c1)cc([nH]2)C(=O)O
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.32g/mol
Monoisotopic Mass:
319.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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