Molecule

ID:36936

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-6(8)7-4-2-3-5-9-7/h6-7,9H,2-5,8H2,1H3
InChIKey
JBZRHQMTFCUHPD-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCCCN1)N
Isomeric Smiles
N1CCCCC1C(C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.7036405
LogD (pH = 7.4)
-2.6431985
Log P
0.33684593
Molar Refractivity
38.8742
Polarizability
15.965017
Polar Surface Area
38.05
Rotatable Bonds
1
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
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References
Bioactivity
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