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28907-30-4 | Benzo[b][1,8]naphthyridin-5(10H)-one
CAS No: 28907-30-4 Catalog No: AG002X1P MDL No:MFCD00226497
Product Description
Catalog Number:
AG002X1P
Chemical Name:
Benzo[b][1,8]naphthyridin-5(10H)-one
CAS Number:
28907-30-4
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
MDL Number:
MFCD00226497
IUPAC Name:
10H-benzo[b][1,8]naphthyridin-5-one
InChI:
InChI=1S/C12H8N2O/c15-11-8-4-1-2-6-10(8)14-12-9(11)5-3-7-13-12/h1-7H,(H,13,14,15)
InChI Key:
DAFMSUZBESPPSV-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2[nH]c2c1cccn2
NSC Number:
187568
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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