Molecule

ID:129033

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₂
Molecular Mass
277.40178
Exact Mass
277.20417911
Charge
0
InChI
InChI=1S/C17H27NO2/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15/h11-12,15H,5-10H2,1-4H3
InChIKey
UOLJKAPABHXFRE-UHFFFAOYSA-N
Canonic Smiles
CCCN(C1Cc2c(C1)cc(c(c2)OC)OC)CCC
Isomeric Smiles
O(c1cc2c(cc1OC)CC(N(CCC)CCC)C2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.26257825
LogD (pH = 7.4)
0.8783223
Log P
3.7462776
Molar Refractivity
83.8071
Polarizability
32.587364
Polar Surface Area
21.7
Rotatable Bonds
7
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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