Molecule

ID:121724

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN₃
Molecular Mass
239.74442
Exact Mass
239.11892527
Charge
0
InChI
InChI=1S/C12H18ClN3/c1-2-15-6-8-16(9-7-15)12-10(13)4-3-5-11(12)14/h3-5H,2,6-9,14H2,1H3
InChIKey
VWFUMOMOAMTOFN-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)c1c(N)cccc1Cl
Isomeric Smiles
N1(c2c(N)cccc2Cl)CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.40236014
LogD (pH = 7.4)
1.8653368
Log P
2.0603359
Molar Refractivity
70.7905
Polarizability
26.32105
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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