이름: 4-[2-[ethyl[3-(propylthio)propyl]amino]-1-hydroxyethyl]-benzonitrile
SMILES:
CCCSCCCN(CC)CC(O)c1ccc(C#N)cc1Molecular Processing
Molecular formula
C17H26N2OS
Molecular weight
306.48
Exact mass
306.1766
XLogP
3.45
TPSA
47.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
90.46
Supplementary Information
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