Molecule

ID:119004

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O
Molecular Mass
224.68672
Exact Mass
224.07164073
Charge
0
InChI
InChI=1S/C11H12N2O.ClH/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13;/h1-4,10,14H,5-7H2;1H/t10-;/m1./s1
InChIKey
CSDQSAHJCAKJPT-HNCPQSOCSA-N
Canonic Smiles
O[C@@H]1CCN2C1=Nc1ccccc1C2.Cl
Isomeric Smiles
N1=C2N(Cc3c1cccc3)CC[C@H]2O.Cl
Calculated Properties
JChem
Acid pKa
13.752519
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0737587
LogD (pH = 7.4)
-0.1745391
Log P
0.6625927
Molar Refractivity
56.3014
Polarizability
20.532646
Polar Surface Area
35.83
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