名称: 2-benzoyl-6,7-dichloro-1-cyano-1,2-dihydroisoquinoline
SMILES:
N#CC1c2cc(Cl)c(Cl)cc2C=CN1C(=O)c1ccccc1Molecular Processing
Molecular formula
C17H10Cl2N2O
Molecular weight
329.19
Exact mass
328.017
XLogP
4.68
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
86.46
Supplementary Information
詳細情報を取得中…
5 件の反応に参加→