Molecule

ID:20984

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO
Molecular Mass
227.30158
Exact Mass
227.13101417
Charge
0
InChI
InChI=1S/C15H17NO/c1-2-4-13-11-15(6-5-12(13)3-1)17-14-7-9-16-10-8-14/h1-6,11,14,16H,7-10H2
InChIKey
CBPIGRLQUAFSQT-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccc2c(c1)cccc2
Isomeric Smiles
c12cc(OC3CCNCC3)ccc1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7585892
LogD (pH = 7.4)
0.08572938
Log P
2.4488094
Molar Refractivity
69.1278
Polarizability
28.613628
Polar Surface Area
21.26
Rotatable Bonds
2
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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