Molecule

ID:40546

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6,8,10H,1H3
InChIKey
ULRUSTJZUWACSI-UHFFFAOYSA-N
Canonic Smiles
O=CC1=CC2C=C(C)C=CC2N=C1Cl
Isomeric Smiles
C1(=CC2C(N=C1Cl)C=CC(=C2)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6045834
LogD (pH = 7.4)
1.6046807
Log P
1.6046818
Molar Refractivity
59.7689
Polarizability
21.454456
Polar Surface Area
29.43
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