Molecule

ID:48733

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O₂
Molecular Mass
194.6592
Exact Mass
194.08220541
Charge
0
InChI
InChI=1S/C7H14N2O2.ClH/c1-5(8)7(11)9-3-2-6(10)4-9;/h5-6,10H,2-4,8H2,1H3;1H
InChIKey
UTUJUPSVTYMVRZ-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C(=O)C(N)C.Cl
Isomeric Smiles
N1(C(=O)C(N)C)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827431
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.33031
LogD (pH = 7.4)
-2.7007284
Log P
-1.6802019
Molar Refractivity
40.9718
Polarizability
16.280312
Polar Surface Area
66.56
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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