Molecule

ID:129242

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO₂
Molecular Mass
277.40178
Exact Mass
277.20417911
Charge
0
InChI
InChI=1S/C17H27NO2/c1-5-9-18(10-6-2)13-11-14-15(12-13)17(20-4)8-7-16(14)19-3/h7-8,13H,5-6,9-12H2,1-4H3
InChIKey
FPAHQTSJKYIURQ-UHFFFAOYSA-N
Canonic Smiles
CCCN(C1Cc2c(C1)c(OC)ccc2OC)CCC
Isomeric Smiles
CCCN(CCC)C1Cc2c(ccc(c2C1)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.27669466
LogD (pH = 7.4)
1.0915444
Log P
3.7462776
Molar Refractivity
83.8071
Polarizability
32.587944
Polar Surface Area
21.7
Rotatable Bonds
7
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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