Molecule

ID:130359

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅NO₂
Molecular Mass
275.3859
Exact Mass
275.18852905
Charge
0
InChI
InChI=1S/C17H25NO2/c1-4-16(19)20-17(15-9-6-5-7-10-15)11-8-12-18(3)13-14(17)2/h5-7,9-10,14H,4,8,11-13H2,1-3H3
InChIKey
ZXWAUWBYASJEOE-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OC1(CCCN(CC1C)C)c1ccccc1
Isomeric Smiles
O=C(OC1(c2ccccc2)CCCN(C)CC1C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.08642409
LogD (pH = 7.4)
1.2103722
Log P
3.2948184
Molar Refractivity
81.054
Polarizability
32.15113
Polar Surface Area
29.54
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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