CAS: 1506156-08-6
이름: 5-methyl-2-pyrazin-2-ylbenzoic acid
SMILES:
CC1=CC(=C(C=C1)C2=NC=CN=C2)C(=O)OMolecular Processing
Molecular formula
C12H10N2O2
Molecular weight
214.22
Exact mass
214.0742
XLogP
2.15
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
59.16
Supplementary Information
InChIKey: QRGPXIQNRDVPBO-UHFFFAOYSA-N
동의어
SCHEMBL16277698QRGPXIQNRDVPBO-UHFFFAOYSA-NAKOS0196811235-Methyl-2-(2-pyrazinyl)benzoic acid5-Methyl-2-(pyrazin-2-yl)benzoic acidDB-1554651506156-08-6
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