Molecule

ID:48679

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H15ClN2/c1-3-4-8-13(2)10-7-5-6-9(11)12-10/h5-7H,3-4,8H2,1-2H3
InChIKey
WZZJLWWAYDCWQO-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)Cl)CCCC
Isomeric Smiles
n1c(N(CCCC)C)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6057074
LogD (pH = 7.4)
3.6061895
Log P
3.6061957
Molar Refractivity
58.3829
Polarizability
21.702482
Polar Surface Area
16.13
Rotatable Bonds
4
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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