Molecule

ID:48969

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-10-4-3-7-14(9-10)12(15)11-5-2-6-13-8-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
MFVVLNDXTLOHCZ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)C(=O)C1CCCNC1.Cl
Isomeric Smiles
N1(C(=O)C2CNCCC2)CC(CCC1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2941086
LogD (pH = 7.4)
-1.2756761
Log P
0.8918881
Molar Refractivity
61.1505
Polarizability
24.10781
Polar Surface Area
32.34
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation