Molecule

ID:81864

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇NO
Molecular Mass
225.37028
Exact Mass
225.20926449
Charge
0
InChI
InChI=1S/C14H27NO/c1-4-5-6-7-8-9-10-15-13(16)12-11-14(12,2)3/h12H,4-11H2,1-3H3,(H,15,16)
InChIKey
KHKNSSJZBOOSGN-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNC(=O)C1CC1(C)C
Isomeric Smiles
O=C(C1C(C1)(C)C)NCCCCCCCC
Calculated Properties
JChem
Acid pKa
16.460207
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6624227
LogD (pH = 7.4)
3.6624238
Log P
3.6624238
Molar Refractivity
68.0631
Polarizability
27.001234
Polar Surface Area
29.1
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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