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108061-50-3 | 1H-Pyrido[3,4-b]indole-1-carboxamide, 2,3,4,9-tetrahydro-
CAS No: 108061-50-3 Catalog No: AG007V8H MDL No:
Product Description
Catalog Number:
AG007V8H
Chemical Name:
1H-Pyrido[3,4-b]indole-1-carboxamide, 2,3,4,9-tetrahydro-
CAS Number:
108061-50-3
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
InChI:
InChI=1S/C12H13N3O/c13-12(16)11-10-8(5-6-14-11)7-3-1-2-4-9(7)15-10/h1-4,11,14-15H,5-6H2,(H2,13,16)
InChI Key:
GEYNGARYCGPPKK-UHFFFAOYSA-N
SMILES:
NC(=O)C1NCCc2c1[nH]c1c2cccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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