Molecule

ID:110446

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇N
Molecular Mass
115.21658
Exact Mass
115.13609955
Charge
0
InChI
InChI=1S/C7H17N/c1-6(2)4-5-7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKey
IZCBXLKODYZSDJ-UHFFFAOYSA-N
Canonic Smiles
CC(CCC(N)C)C
Isomeric Smiles
CC(C)CCC(C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1810541
LogD (pH = 7.4)
-0.88460916
Log P
1.8466029
Molar Refractivity
37.3608
Polarizability
15.189125
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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