Molecule

ID:10700

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂
Molecular Mass
140.22604
Exact Mass
140.13134852
Charge
0
InChI
InChI=1S/C8H16N2/c1-7(2)10(6-5-9)8(3)4/h7-8H,6H2,1-4H3
InChIKey
KRHUHTLKXFFVGB-UHFFFAOYSA-N
Canonic Smiles
CC(N(C(C)C)CC#N)C
Isomeric Smiles
N(CC#N)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.25019068
LogD (pH = 7.4)
1.2234911
Log P
1.2728676
Molar Refractivity
43.3868
Polarizability
16.83952
Polar Surface Area
27.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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