이름: 4-chloro-N-(4-methoxyphenyl)pyridin-2-amine
SMILES:
COC1=CC=C(C=C1)NC2=NC=CC(=C2)ClMolecular Processing
Molecular formula
C12H11ClN2O
Molecular weight
234.69
Exact mass
234.056
XLogP
3.49
TPSA
34.15
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
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
65.52
Supplementary Information
InChIKey: KOFMZIJCUVOSMO-UHFFFAOYSA-N
출처 보기 →1개 반응에 참여→