Molecule

ID:47637

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂
Molecular Mass
224.72978
Exact Mass
224.10802623
Charge
0
InChI
InChI=1S/C12H17ClN2/c1-9-4-2-3-7-15(9)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7,14H2,1H3
InChIKey
GUYKONGIFFZKQY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)N1CCCCC1C
Isomeric Smiles
N1(c2c(cc(cc2)Cl)N)C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0858912
LogD (pH = 7.4)
3.1228573
Log P
3.1233497
Molar Refractivity
66.5526
Polarizability
24.778086
Polar Surface Area
29.26
Rotatable Bonds
1
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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