Molecule

ID:11634

General Information
Structure
Molecular Formula
C₁₁H₂₄ClN₃
Molecular Mass
233.78136
Exact Mass
233.16587546
Charge
0
InChI
InChI=1S/C11H23N3.ClH/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;/h11-12H,2-10H2,1H3;1H
InChIKey
IXHUOPCJAWPKNT-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C1CCNCC1.Cl
Isomeric Smiles
N1(C2CCNCC2)CCN(CC1)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.926653
LogD (pH = 7.4)
-3.626792
Log P
0.03785519
Molar Refractivity
60.9432
Polarizability
24.131968
Polar Surface Area
18.51
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
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Molecule Details
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References
Bioactivity
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