Molecule

ID:76849

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-6-4-3-5-7(2)8-6/h6-8H,3-5H2,1-2H3
InChIKey
SDGKUVSVPIIUCF-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(N1)C
Isomeric Smiles
N1C(CCCC1C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7448595
LogD (pH = 7.4)
-1.4086671
Log P
1.4906377
Molar Refractivity
35.673
Polarizability
14.445701
Polar Surface Area
12.03
Rotatable Bonds
0
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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