Molecule

ID:130138

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO
Molecular Mass
259.3865
Exact Mass
259.19361443
Charge
0
InChI
InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
InChIKey
YSSBJODGIYRAMI-UHFFFAOYSA-N
Canonic Smiles
OC1CCCCC1N1CCC(CC1)c1ccccc1
Isomeric Smiles
OC1CCCCC1N1CCC(CC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.596863
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2674812
LogD (pH = 7.4)
0.69691294
Log P
3.1857257
Molar Refractivity
79.1494
Polarizability
31.223616
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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