Molecule

ID:130360

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2/h6-10,13-14H,5,11-12H2,1-4H3/t13-,14+,17+/m1/s1
InChIKey
UVITTYOJFDLOGI-KEYYUXOJSA-N
Canonic Smiles
CCC(=O)O[C@]1(C[C@H](C)N(C[C@H]1C)C)c1ccccc1
Isomeric Smiles
C[C@@H]1CN(C)[C@@H](C)C[C@@]1(OC(=O)CC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.07135766
LogD (pH = 7.4)
1.4510638
Log P
3.1940308
Molar Refractivity
80.8282
Polarizability
32.151123
Polar Surface Area
29.54
Rotatable Bonds
4
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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