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1157446-24-6 | 5-[(isoquinolin-5-yl)carbamoyl]pentanoic acid
CAS No: 1157446-24-6 Catalog No: AG01ACAJ MDL No:MFCD13806053
Product Description
Catalog Number:
AG01ACAJ
Chemical Name:
5-[(isoquinolin-5-yl)carbamoyl]pentanoic acid
CAS Number:
1157446-24-6
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD13806053
IUPAC Name:
6-(isoquinolin-5-ylamino)-6-oxohexanoic acid
InChI:
InChI=1S/C15H16N2O3/c18-14(6-1-2-7-15(19)20)17-13-5-3-4-11-10-16-9-8-12(11)13/h3-5,8-10H,1-2,6-7H2,(H,17,18)(H,19,20)
InChI Key:
FSUXEKQHBOETAP-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc2c1ccnc2)CCCCC(=O)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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