Molecule

ID:92073

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-8-7-5-3-2-4-6-7/h7-8H,2-6H2,1H3
InChIKey
XTUVJUMINZSXGF-UHFFFAOYSA-N
Canonic Smiles
CNC1CCCCC1
Isomeric Smiles
N(C1CCCCC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
-1.36
LogD (pH = 5.5)
-1.63
Log P
1.61
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.70
Polar Surface Area
12.03
Polarizability
14.45
Molar Refractivity
35.71
LOG S
-0.83
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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