Molecule

ID:16713

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H15ClN2/c12-9-5-4-6-10(13)11(9)14-7-2-1-3-8-14/h4-6H,1-3,7-8,13H2
InChIKey
QKXQIYIXTYLFFD-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCCCC1)Cl
Isomeric Smiles
c1(N2CCCCC2)c(cccc1Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7032824
LogD (pH = 7.4)
2.7067304
Log P
2.7067745
Molar Refractivity
62.1338
Polarizability
22.952566
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
Molecule Details
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References
Bioactivity
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