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89013-99-0 | 1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-, (S)-
CAS No: 89013-99-0 Catalog No: AG00438A MDL No:
Product Description
Catalog Number:
AG00438A
Chemical Name:
1H-Pyrido[3,4-b]indole-3-carboxamide, 2,3,4,9-tetrahydro-, (S)-
CAS Number:
89013-99-0
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
InChI:
InChI=1S/C12H13N3O/c13-12(16)10-5-8-7-3-1-2-4-9(7)15-11(8)6-14-10/h1-4,10,14-15H,5-6H2,(H2,13,16)
InChI Key:
SWRKTKBVJYIDTG-UHFFFAOYSA-N
SMILES:
NC(=O)[C@H]1NCc2c(C1)c1ccccc1[nH]2
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:
0.5
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