SMILES:
CC(C)CN1C(=Nc2ccc(C#N)cc2)SCC12CCCC2Molecular Processing
Molecular formula
C18H23N3S
Molecular weight
313.47
Exact mass
313.1613
XLogP
4.56
TPSA
39.39
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
93.45
Supplementary Information
جارٍ جلب التفاصيل…
مشارك في 2 تفاعل→