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10261-82-2 | 1,5-Naphthyridin-2(1H);-one
CAS No: 10261-82-2 Catalog No: AG0007WT MDL No:MFCD11877925
Product Description
Catalog Number:
AG0007WT
Chemical Name:
1,5-Naphthyridin-2(1H);-one
CAS Number:
10261-82-2
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD11877925
IUPAC Name:
1H-1,5-naphthyridin-2-one
InChI:
InChI=1S/C8H6N2O/c11-8-4-3-6-7(10-8)2-1-5-9-6/h1-5H,(H,10,11)
InChI Key:
OJFSCKNLUYOABN-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)cccn2
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| High-Dimensional descriptor selection and computational QSAR modeling for antitumor activity of ARC-111 analogues Based on Support Vector Regression (SVR). | International journal of molecular sciences 20120101 |
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