Molecule

ID:11271

General Information
Structure
Molecular Formula
C₁₇H₁₇ClN₂
Molecular Mass
284.78328
Exact Mass
284.10802623
Charge
0
InChI
InChI=1S/C17H17ClN2/c18-16-7-3-1-5-14(16)11-19-10-9-13-12-20-17-8-4-2-6-15(13)17/h1-8,12,19-20H,9-11H2
InChIKey
ZSEPJTGBFYRCMJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1CNCCc1c[nH]c2c1cccc2
Isomeric Smiles
c1cccc2c1[nH]cc2CCNCc1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
17.167559
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.1261377
LogD (pH = 7.4)
2.4216506
Log P
4.2475357
Molar Refractivity
84.5649
Polarizability
34.025974
Polar Surface Area
27.82
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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