Molecule

ID:30830

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-7(8)6-9-4-2-3-5-9/h7H,2-6,8H2,1H3
InChIKey
ZLGZKMHJXLDWSP-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCCC1)N
Isomeric Smiles
N1(CC(N)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.9711676
LogD (pH = 7.4)
-2.7553253
Log P
0.21555814
Molar Refractivity
39.8977
Polarizability
15.965017
Polar Surface Area
29.26
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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