Molecule

ID:13328

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H15ClN2/c12-9-4-5-11(10(13)8-9)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,13H2
InChIKey
BFOQYOCNAFPILH-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N)N1CCCCC1
Isomeric Smiles
c1(ccc(c(c1)N)N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6693702
LogD (pH = 7.4)
2.706283
Log P
2.7067745
Molar Refractivity
62.1338
Polarizability
22.936956
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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