Molecule

ID:21178

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-2-6-14-13(4-1)5-3-7-15(14)17-11-12-8-9-16-10-12/h1-7,12,16H,8-11H2
InChIKey
SKBRHWSRRITDPJ-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)COc1cccc2c1cccc2
Isomeric Smiles
c12c(OCC3CNCC3)cccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7331748
LogD (pH = 7.4)
-0.5745648
Log P
2.5063982
Molar Refractivity
69.246
Polarizability
28.617764
Polar Surface Area
21.26
Rotatable Bonds
3
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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