C#CCCCCCC#N
名称: oct-7-ynenitrile
SMILES: C#CCCCCCC#N

Molecular Processing

Molecular formula
C8H11N
Molecular weight
121.18
Exact mass
121.0891
XLogP
2.09
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
37.53

Supplementary Information

InChIKey: WFINKGLMXRXYOY-UHFFFAOYSA-N
同義語
7-cyano-1-heptyneSCHEMBL3169930SCHEMBL5879253SCHEMBL10010495WFINKGLMXRXYOY-UHFFFAOYSA-N
出典を見る →
2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→