Molecule

ID:47618

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H19ClN2/c1-3-8-15(9-4-2)12-10(13)6-5-7-11(12)14/h5-7H,3-4,8-9,14H2,1-2H3
InChIKey
SCRACGRDYVYVAN-UHFFFAOYSA-N
Canonic Smiles
CCCN(c1c(N)cccc1Cl)CCC
Isomeric Smiles
c1(N(CCC)CCC)c(N)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6103249
LogD (pH = 7.4)
3.615009
Log P
3.6150692
Molar Refractivity
68.537
Polarizability
25.52342
Polar Surface Area
29.26
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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