Molecule

ID:23145

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c15-12-7-6-11(9-13(12)16)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8,16H2,(H,17,18)
InChIKey
LYDZFSICBOXNDE-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.865353
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8200102
LogD (pH = 7.4)
2.8204095
Log P
2.8204148
Molar Refractivity
75.1481
Polarizability
27.802656
Polar Surface Area
55.12
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