Molecule

ID:81372

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃O
Molecular Mass
227.69066
Exact Mass
227.08253976
Charge
0
InChI
InChI=1S/C10H14ClN3O/c1-13-9(11)7-8(12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKey
CRPGDENPRJLFHT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(n(n1)C)Cl)N1CCCCC1
Isomeric Smiles
n1c(cc(n1C)Cl)C(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2543696
LogD (pH = 7.4)
1.2543701
Log P
1.2543701
Molar Refractivity
70.4091
Polarizability
22.18993
Polar Surface Area
38.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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