C1=CC=C2C=NC(=CC2=C1)C(=O)O
CAS: 6624-49-3
Nombre: isoquinoline-3-carboxylic acid
SMILES: C1=CC=C2C=NC(=CC2=C1)C(=O)O

Molecular Processing

Molecular formula
C10H7NO2
Molecular weight
173.17
Exact mass
173.0477
XLogP
1.93
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.7

Supplementary Information

InChIKey: KVMMIDQDXZOPAB-UHFFFAOYSA-N
Sinónimos
Isoquinoline-3-carboxylic AcidDTXSID80919666RefChem:792310DTXCID60835092689-097-46624-49-33-Isoquinolinecarboxylic acid3-Carboxyisoquinoline3-Isoquinoline carboxylic acid3-Isoquinaldic acidMFCD00075137NSC-53385NG3LB0ST2PMLS002667594Maybridge1_002411UNII-NG3LB0ST2POprea1_710329isoquinoline-3-caboxylic acidDivK1c_001163SCHEMBL155043isoquinoline 3-carboxylic acidorb3022707SCHEMBL2887227SCHEMBL5399939SCHEMBL5661365isoquinoline -3-carboxylic acidCHEMBL1728638SCHEMBL29489052SCHEMBL29746814KVMMIDQDXZOPAB-UHFFFAOYSA-
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