이름: 4-dodecylsulfanylbenzonitrile
SMILES:
CCCCCCCCCCCCSC1=CC=C(C=C1)C#NMolecular Processing
Molecular formula
C19H29NS
Molecular weight
303.51
Exact mass
303.2021
XLogP
6.57
TPSA
23.79
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
12
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
93.73
Supplementary Information
InChIKey: IDFIFWNKVQOJRT-UHFFFAOYSA-N
동의어
4-(dodecyl-thio)benzonitrileSCHEMBL7835337IDFIFWNKVQOJRT-UHFFFAOYSA-N
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