Molecule

ID:62722

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉Cl₂N₃O
Molecular Mass
244.16196
Exact Mass
243.0905176
Charge
0
InChI
InChI=1S/C8H17N3O.2ClH/c1-10(2)8(12)7-6-11(3)5-4-9-7;;/h7,9H,4-6H2,1-3H3;2*1H
InChIKey
RPSXPFXZNGKDBW-UHFFFAOYSA-N
Canonic Smiles
CN1CCNC(C1)C(=O)N(C)C.Cl.Cl
Isomeric Smiles
C1(C(=O)N(C)C)NCCN(C1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.9866037
LogD (pH = 7.4)
-2.2790976
Log P
-1.0154098
Molar Refractivity
48.189
Polarizability
18.999018
Polar Surface Area
35.58
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