Molecule

ID:113338

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈N₂O
Molecular Mass
266.33762
Exact Mass
266.14191321
Charge
0
InChI
InChI=1S/C17H18N2O/c20-12-6-11-17-18-15-9-4-5-10-16(15)19(17)13-14-7-2-1-3-8-14/h1-5,7-10,20H,6,11-13H2
InChIKey
VKBZBWPMGQXAGU-UHFFFAOYSA-N
Canonic Smiles
OCCCc1nc2c(n1Cc1ccccc1)cccc2
Isomeric Smiles
n1(c(nc2c1cccc2)CCCO)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.95817
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.490005
LogD (pH = 7.4)
3.0240297
Log P
3.0391438
Molar Refractivity
80.0751
Polarizability
32.122498
Polar Surface Area
38.05
Rotatable Bonds
5
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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