SMILES:
CSCc1cccc2c(C(C)(c3ccc(Cl)cc3)C3CC3C#N)c[nH]c12Molecular Processing
Molecular formula
C22H21ClN2S
Molecular weight
380.94
Exact mass
380.1114
XLogP
6.15
TPSA
39.58
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
110.63
Supplementary Information
상세 정보 불러오는 중…
1개 반응에 참여→