Molecule

ID:90347

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅NO₂
Molecular Mass
297.476
Exact Mass
297.26677937
Charge
0
InChI
InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKey
PUYXTUJWRLOUCW-UHFFFAOYSA-N
Canonic Smiles
CCCN(CC1COC2(O1)CCC(CC2)C(C)(C)C)CC
Isomeric Smiles
O1C2(OCC1CN(CCC)CC)CCC(C(C)(C)C)CC2
Calculated Properties
JChem
LogD (pH = 7.4)
2.45
LogD (pH = 5.5)
1.04
Log P
4.38
Rotatable Bonds
6
H Donor
0
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.34
Polar Surface Area
21.70
Polarizability
37.27
Molar Refractivity
88.38
LOG S
-4.33
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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