Molecule

ID:12880

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-17-15-10-6-5-9-14(15)12-16-11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3
InChIKey
XIRPWRHFPWEBHP-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNCc1ccccc1
Isomeric Smiles
c1cccc(c1)CNCc1c(cccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.27507475
LogD (pH = 7.4)
1.9395651
Log P
3.0983965
Molar Refractivity
70.3818
Polarizability
27.700136
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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