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Home > Indoles and Oxindole > 129756-97-4
129756-97-4 | 9H-Pyrido[3,4-b]indole, 3-butyl-
CAS No: 129756-97-4 Catalog No: AG000TO0 MDL No:
Product Description
Catalog Number:
AG000TO0
Chemical Name:
9H-Pyrido[3,4-b]indole, 3-butyl-
CAS Number:
129756-97-4
Molecular Formula:
C15H16N2
Molecular Weight:
224.3009
IUPAC Name:
3-butyl-9H-pyrido[3,4-b]indole
InChI:
InChI=1S/C15H16N2/c1-2-3-6-11-9-13-12-7-4-5-8-14(12)17-15(13)10-16-11/h4-5,7-10,17H,2-3,6H2,1H3
InChI Key:
JRGOZUPASNAZDD-UHFFFAOYSA-N
SMILES:
CCCCc1ncc2c(c1)c1ccccc1[nH]2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.131g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.307g/mol
Monoisotopic Mass:
224.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Literature
| Title | Journal |
|---|---|
| 3D and quantum QSAR of non-benzodiazepine compounds. | European journal of medicinal chemistry 20081101 |
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