Molecule

ID:38140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀ClN₃O
Molecular Mass
245.749
Exact Mass
245.12948996
Charge
0
InChI
InChI=1S/C11H19N3O.ClH/c1-8(2)6-10-13-11(15-14-10)9-4-3-5-12-7-9;/h8-9,12H,3-7H2,1-2H3;1H
InChIKey
DUQKNTQHRKQHRO-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1noc(n1)C1CCCNC1)C.Cl
Isomeric Smiles
o1c(C2CNCCC2)nc(n1)CC(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1820346
LogD (pH = 7.4)
0.15212184
Log P
2.0529487
Molar Refractivity
59.7933
Polarizability
22.655148
Polar Surface Area
50.95
Rotatable Bonds
3
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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