Molecule

ID:80806

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅Cl₂NO
Molecular Mass
284.181
Exact Mass
283.05306947
Charge
0
InChI
InChI=1S/C14H15Cl2NO/c1-4-14(5-2,6-3)17-9-10-7-11(15)8-12(16)13(10)18/h1,7-9,18H,5-6H2,2-3H3
InChIKey
VAUPOTMNMWZYCM-UHFFFAOYSA-N
Canonic Smiles
CCC(/N=C/c1cc(Cl)cc(c1O)Cl)(C#C)CC
Isomeric Smiles
N(=C\c1cc(cc(c1O)Cl)Cl)/C(C#C)(CC)CC
Calculated Properties
JChem
Acid pKa
6.853117
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.7779627
LogD (pH = 7.4)
4.153249
Log P
4.7968893
Molar Refractivity
76.8715
Polarizability
29.049261
Polar Surface Area
32.59
Rotatable Bonds
4
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