Molecule

ID:48738

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-7-4-3-5-11(6-7)9(12)8(2)10;/h7-8H,3-6,10H2,1-2H3;1H
InChIKey
XXNUDRGSFYOBHD-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C(=O)C(N)C.Cl
Isomeric Smiles
N1(C(=O)C(N)C)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3730967
LogD (pH = 7.4)
-0.7435292
Log P
0.27703717
Molar Refractivity
48.7265
Polarizability
19.311396
Polar Surface Area
46.33
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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