Molecule

ID:129176

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉NO
Molecular Mass
251.40756
Exact Mass
251.22491455
Charge
0
InChI
InChI=1S/C16H29NO/c1-4-5-7-13(2)10-14-11-16(3,18)15-8-6-9-17(15)12-14/h10,13,15,18H,4-9,11-12H2,1-3H3/b14-10+/t13-,15+,16+/m1/s1
InChIKey
OKTQTXDNHCOLHT-QUQBVAGWSA-N
Canonic Smiles
CCCC[C@H](/C=C\1/CN2CCC[C@H]2[C@@](C1)(C)O)C
Isomeric Smiles
O[C@]1(C/C(=C\[C@H](C)CCCC)/CN2[C@H]1CCC2)C
Calculated Properties
JChem
Acid pKa
14.358953
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21276264
LogD (pH = 7.4)
0.57728016
Log P
3.2589827
Molar Refractivity
78.1392
Polarizability
30.668976
Polar Surface Area
23.47
Rotatable Bonds
4
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
References
Bioactivity
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