Molecule

ID:120783

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN₃
Molecular Mass
227.73372
Exact Mass
227.11892527
Charge
0
InChI
InChI=1S/C11H17N3.ClH/c12-10-6-5-7-13-11(10)14-8-3-1-2-4-9-14;/h5-7H,1-4,8-9,12H2;1H
InChIKey
FZJVINGTDQNXTN-UHFFFAOYSA-N
Canonic Smiles
Nc1cccnc1N1CCCCCC1.Cl
Isomeric Smiles
c1(N2CCCCCC2)ncccc1N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7133003
LogD (pH = 7.4)
1.7822716
Log P
1.9240836
Molar Refractivity
60.0866
Polarizability
22.031488
Polar Surface Area
42.15
Rotatable Bonds
1
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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