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Home > Pyridines > 160488-14-2
160488-14-2 | 1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-2-(4-pyridinylmethyl)-
CAS No: 160488-14-2 Catalog No: AG001RYM MDL No:
Product Description
Catalog Number:
AG001RYM
Chemical Name:
1(2H)-Naphthalenone, 3,4-dihydro-5-hydroxy-2-(4-pyridinylmethyl)-
CAS Number:
160488-14-2
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
5-hydroxy-2-(pyridin-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C16H15NO2/c18-15-3-1-2-14-13(15)5-4-12(16(14)19)10-11-6-8-17-9-7-11/h1-3,6-9,12,18H,4-5,10H2
InChI Key:
DAOQXQRTKZYREH-UHFFFAOYSA-N
SMILES:
O=C1C(CCc2c1cccc2O)Cc1ccncc1
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). | Bioorganic & medicinal chemistry letters 20100515 |
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