Molecule

ID:10702

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c1-9(2)12(10(3)4)8-6-5-7-11/h9-10H,5-6,8H2,1-4H3
InChIKey
SWVUWKUFMMUEDC-UHFFFAOYSA-N
Canonic Smiles
N#CCCCN(C(C)C)C(C)C
Isomeric Smiles
N(CCCC#N)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.635795
LogD (pH = 7.4)
-0.5503267
Log P
1.7985415
Molar Refractivity
52.8412
Polarizability
20.530266
Polar Surface Area
27.03
Rotatable Bonds
5
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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