Molecule

ID:57526

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-8(4-5-9)10-6-2-3-7-10/h8H,2-4,6-7H2,1H3
InChIKey
HTKXJNYGQWPZBP-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC1)CC#N
Isomeric Smiles
N1(C(CC#N)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.5493222
LogD (pH = 7.4)
0.19404069
Log P
0.7854869
Molar Refractivity
41.7112
Polarizability
16.10553
Polar Surface Area
27.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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