Molecule

ID:97680

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClFN
Molecular Mass
187.6417432
Exact Mass
187.05640526
Charge
0
InChI
InChI=1S/C9H10FN.ClH/c10-8-3-1-2-7-6(8)4-5-9(7)11;/h1-3,9H,4-5,11H2;1H/t9-;/m0./s1
InChIKey
CBWNFZYQNOKVAI-FVGYRXGTSA-N
Canonic Smiles
N[C@H]1CCc2c1cccc2F.Cl
Isomeric Smiles
N[C@@H]1c2cccc(c2CC1)F.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.211204
LogD (pH = 7.4)
-0.35414842
Log P
1.7859404
Molar Refractivity
42.3286
Polarizability
16.218231
Polar Surface Area
26.02
Rotatable Bonds
0
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