Molecule

ID:41028

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c1-13(2)7-10(8-14)9-3-5-11(12)6-4-9/h3-8H,1-2H3/b10-7+
InChIKey
WYRALGSIFBXIIV-JXMROGBWSA-N
Canonic Smiles
O=C/C(=C\N(C)C)/c1ccc(cc1)Cl
Isomeric Smiles
C(=C\N(C)C)(/c1ccc(cc1)Cl)\C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8335552
LogD (pH = 7.4)
2.2262769
Log P
2.2344985
Molar Refractivity
59.3274
Polarizability
22.429823
Polar Surface Area
20.31
Rotatable Bonds
3
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