Molecule

ID:20947

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c1-2-6-14(7-3-1)16-8-4-5-9-17(16)19-15-10-12-18-13-11-15/h1-9,15,18H,10-13H2
InChIKey
YXPNJUFYBHASBC-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)Oc1ccccc1c1ccccc1
Isomeric Smiles
c1(c(c2ccccc2)cccc1)OC1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.100840576
LogD (pH = 7.4)
0.74347824
Log P
3.106558
Molar Refractivity
77.8138
Polarizability
32.08375
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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