Molecule

ID:130211

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₂
Molecular Mass
251.3645
Exact Mass
251.18852905
Charge
0
InChI
InChI=1S/C15H25NO2/c1-11-7-6-8-14(12(11)2)18-10-13(17)9-16-15(3,4)5/h6-8,13,16-17H,9-10H2,1-5H3
InChIKey
RKUQLAPSGZJLGP-UHFFFAOYSA-N
Canonic Smiles
OC(COc1cccc(c1C)C)CNC(C)(C)C
Isomeric Smiles
O(c1cccc(c1C)C)CC(O)CNC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.087582
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.30062073
LogD (pH = 7.4)
0.59326273
Log P
2.9016385
Molar Refractivity
75.0961
Polarizability
29.579126
Polar Surface Area
41.49
Rotatable Bonds
6
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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