Molecule

ID:57238

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-3-8-6(2)7-4-5-7/h6-8H,3-5H2,1-2H3
InChIKey
KFSCACFJXLWXJY-UHFFFAOYSA-N
Canonic Smiles
CCNC(C1CC1)C
Isomeric Smiles
C1C(C1)C(C)NCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8766569
LogD (pH = 7.4)
-1.6288518
Log P
1.3610818
Molar Refractivity
35.8028
Polarizability
14.445701
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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