Molecule

ID:43199

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-10(2)13-7-12(9-16(5)6)8-14(11(3)4)15(13)17/h7-8,10-11,17H,9H2,1-6H3
InChIKey
DEYFSRVIHDNQHT-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cc(C(C)C)c(c(c1)C(C)C)O)C
Isomeric Smiles
c1(c(cc(cc1C(C)C)CN(C)C)C(C)C)O
Calculated Properties
JChem
Acid pKa
10.475493
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9447699
LogD (pH = 7.4)
2.575099
Log P
3.9380057
Molar Refractivity
74.9632
Polarizability
28.908424
Polar Surface Area
23.47
Rotatable Bonds
4
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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