SMILES:
CNC(=[SH]C)N1Cc2ccccc2C2(Cc3ccc(Cl)cc3O2)C1.IMolecular Processing
Molecular formula
C19H22ClIN2OS
Molecular weight
488.82
Exact mass
488.0186
XLogP
4.01
TPSA
24.5
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
25
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.316
Molar refractivity
118.71
Supplementary Information
상세 정보 불러오는 중…
2개 반응에 참여→