Molecule

ID:45269

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-6-3-2-4-7(8)5-6/h6-7H,2-5,8H2,1H3
InChIKey
JYDYHSHPBDZRPU-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1)N
Isomeric Smiles
C1C(N)CCCC1C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5670276
LogD (pH = 7.4)
-1.2785163
Log P
1.4608308
Molar Refractivity
35.4816
Polarizability
14.445701
Polar Surface Area
26.02
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
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References
Bioactivity
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