Molecule

ID:29191

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO
Molecular Mass
229.31746
Exact Mass
229.14666423
Charge
0
InChI
InChI=1S/C15H19NO/c1-17-12-11-16-10-9-14-7-4-6-13-5-2-3-8-15(13)14/h2-8,16H,9-12H2,1H3
InChIKey
VMCMRKPZIJHBFZ-UHFFFAOYSA-N
Canonic Smiles
COCCNCCc1cccc2c1cccc2
Isomeric Smiles
c12c(cccc1cccc2)CCNCCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.4224308
LogD (pH = 7.4)
0.6012316
Log P
2.762757
Molar Refractivity
71.5547
Polarizability
29.295511
Polar Surface Area
21.26
Rotatable Bonds
6
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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