Molecule

ID:14746

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-20-14-7-5-13(6-8-14)12-16-15-4-2-3-9-17(15,19)10-11-18-16/h5-8,15-16,18-19H,2-4,9-12H2,1H3
InChIKey
PANQQHGRCGEZCM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC1NCCC2(C1CCCC2)O
Isomeric Smiles
C1(C2C(CCN1)(CCCC2)O)Cc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
14.463259
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.89777017
LogD (pH = 7.4)
0.003403588
Log P
2.3036766
Molar Refractivity
80.2961
Polarizability
31.875765
Polar Surface Area
41.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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