Molecule

ID:14803

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN₃
Molecular Mass
239.74442
Exact Mass
239.11892527
Charge
0
InChI
InChI=1S/C12H18ClN3/c1-2-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13/h3-4,9H,2,5-8,14H2,1H3
InChIKey
OGIDRFDLWCRRNN-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1ccc(cc1Cl)N
Isomeric Smiles
N1(c2c(cc(cc2)N)Cl)CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.20177382
LogD (pH = 7.4)
1.8163867
Log P
2.0603359
Molar Refractivity
70.7905
Polarizability
26.319855
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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