Molecule
ID:14264
General Information
Molecular Formula
C₁₂H₂₀ClNO
Molecular Mass
229.7463
Exact Mass
229.12334195
Charge
0
InChI
InChI=1S/C12H20ClNO/c1-11(2)8-4-5-9(6-8)12(11,3)14-10(15)7-13/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKey
FLUMHSYXYCELKC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NC1(C)C2CCC(C1(C)C)C2
Isomeric Smiles
C1(C2CC(C1(C)C)CC2)(NC(=O)CCl)C
Calculated Properties
JChem
Acid pKa
13.349629
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2972498
LogD (pH = 7.4)
2.2972493
Log P
2.2972498
Molar Refractivity
61.2549
Polarizability
24.413153
Polar Surface Area
29.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...