Molecule

ID:57377

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H15ClN2/c11-10-4-2-9(3-5-10)8-13-7-1-6-12/h2-5,13H,1,6-8,12H2
InChIKey
RMASORJTUXYTIP-UHFFFAOYSA-N
Canonic Smiles
NCCCNCc1ccc(cc1)Cl
Isomeric Smiles
c1cc(ccc1Cl)CNCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.4228954
LogD (pH = 7.4)
-2.3565214
Log P
1.3986152
Molar Refractivity
56.926
Polarizability
22.608162
Polar Surface Area
38.05
Rotatable Bonds
5
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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