Molecule

ID:19631

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂ClNO
Molecular Mass
269.72558
Exact Mass
269.06074169
Charge
0
InChI
InChI=1S/C16H12ClNO/c17-14-6-3-7-15(18)16(14)19-13-9-8-11-4-1-2-5-12(11)10-13/h1-10H,18H2
InChIKey
QGUHRGRMPZNYEE-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1ccc2c(c1)cccc2)Cl
Isomeric Smiles
c1(Oc2cc3c(cc2)cccc3)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.96502
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.2376776
LogD (pH = 7.4)
4.238123
Log P
4.2381287
Molar Refractivity
78.2542
Polarizability
31.222363
Polar Surface Area
35.25
Rotatable Bonds
2
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