Molecule

ID:66845

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H14N2.ClH/c1-12-6-2-3-8-4-5-9(11)7-10(8)12;/h4-5,7H,2-3,6,11H2,1H3;1H
InChIKey
LPBQFAWSKKXLRD-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(C)CCC2.Cl
Isomeric Smiles
N1(CCCc2ccc(cc12)N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4142547
LogD (pH = 7.4)
1.7308192
Log P
1.7368209
Molar Refractivity
53.0976
Polarizability
19.177847
Polar Surface Area
29.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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