Molecule

ID:125454

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO
Molecular Mass
259.3865
Exact Mass
259.19361443
Charge
0
InChI
InChI=1S/C17H25NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8,16,19H,2,5-6,9-14H2
InChIKey
KPRUAZBLIREHPD-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)(N1CCCCC1)c1ccccc1
Isomeric Smiles
OC1CCC(c2ccccc2)(N2CCCCC2)CC1
Calculated Properties
JChem
Acid pKa
15.25434
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3685564
LogD (pH = 7.4)
0.44290975
Log P
3.1013293
Molar Refractivity
79.316
Polarizability
31.299707
Polar Surface Area
23.47
Rotatable Bonds
2
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
References
Bioactivity
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