Molecule

ID:20973

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c1-2-4-14(5-3-1)15-6-8-16(9-7-15)19-17-10-12-18-13-11-17/h1-9,17-18H,10-13H2
InChIKey
OYQXDIZBRYDJNU-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(OC2CCNCC2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1008406
LogD (pH = 7.4)
0.743478
Log P
3.106558
Molar Refractivity
77.8138
Polarizability
32.07799
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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