Molecule

ID:127380

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₂
Molecular Mass
235.32204
Exact Mass
235.15722892
Charge
0
InChI
InChI=1S/C14H21NO2/c1-9(15)5-10-6-13-11(7-12(10)16-4)8-14(2,3)17-13/h6-7,9H,5,8,15H2,1-4H3
InChIKey
ZUGGTXPIKSRFHP-UHFFFAOYSA-N
Canonic Smiles
COc1cc2CC(Oc2cc1CC(N)C)(C)C
Isomeric Smiles
O(c1cc2c(OC(C2)(C)C)cc1CC(N)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.7899873
LogD (pH = 7.4)
-0.18431751
Log P
2.225948
Molar Refractivity
68.9982
Polarizability
27.05396
Polar Surface Area
44.48
Rotatable Bonds
3
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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