Molecule

ID:48855

General Information
Structure
Molecular Formula
C₉H₂₀ClN₃O
Molecular Mass
221.7276
Exact Mass
221.12948996
Charge
0
InChI
InChI=1S/C9H19N3O.ClH/c1-9(2,10)8(13)12-6-4-11(3)5-7-12;/h4-7,10H2,1-3H3;1H
InChIKey
GBKSGCROERRKJU-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C(N)(C)C.Cl
Isomeric Smiles
C(=O)(N1CCN(CC1)C)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.753048
LogD (pH = 7.4)
-2.0078285
Log P
-0.65841633
Molar Refractivity
52.8763
Polarizability
20.839008
Polar Surface Area
49.57
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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