Molecule

ID:108626

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉NO
Molecular Mass
263.41826
Exact Mass
263.22491455
Charge
0
InChI
InChI=1S/C17H29NO/c1-16(2,3)13-9-12(11-18(7)8)10-14(15(13)19)17(4,5)6/h9-10,19H,11H2,1-8H3
InChIKey
VMZVBRIIHDRYGK-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
Isomeric Smiles
CN(C)Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Calculated Properties
JChem
Acid pKa
10.746511
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5593183
LogD (pH = 7.4)
3.2003558
Log P
4.596069
Molar Refractivity
83.9134
Polarizability
32.59972
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation