Molecule

ID:20854

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c1-2-7-14(8-3-1)16-10-4-5-11-17(16)19-15-9-6-12-18-13-15/h1-5,7-8,10-11,15,18H,6,9,12-13H2
InChIKey
HDDIPSFJAPKSKI-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1ccccc1c1ccccc1
Isomeric Smiles
c1(c(c2ccccc2)cccc1)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.39802274
LogD (pH = 7.4)
1.5282052
Log P
3.563961
Molar Refractivity
77.593
Polarizability
32.083706
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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