Molecule

ID:34681

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅NO
Molecular Mass
223.3544
Exact Mass
223.19361443
Charge
0
InChI
InChI=1S/C14H25NO/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)15-3-4-16/h11,15-16H,3-10H2,1-2H3
InChIKey
HXDRZBDZKHGPRZ-UHFFFAOYSA-N
Canonic Smiles
OCCNC12CC3CC(C2)(CC(C1)(C3)C)C
Isomeric Smiles
C12(CC3(CC(C1)(CC(C2)C3)C)C)NCCO
Calculated Properties
JChem
Acid pKa
15.601351
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4246049
LogD (pH = 7.4)
-1.0114988
Log P
1.8085202
Molar Refractivity
65.5527
Polarizability
26.479994
Polar Surface Area
32.26
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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