Molecule

ID:12970

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClNO₂
Molecular Mass
279.76192
Exact Mass
279.1026065
Charge
0
InChI
InChI=1S/C15H18ClNO2/c1-10-8-15(2,3)17(14(18)9-16)13-6-5-11(19-4)7-12(10)13/h5-8H,9H2,1-4H3
InChIKey
PDTJRUYYFVKOAC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1c2ccc(cc2C(=CC1(C)C)C)OC
Isomeric Smiles
c12c(N(C(C=C1C)(C)C)C(=O)CCl)ccc(c2)OC
Calculated Properties
JChem
Acid pKa
16.712248
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8123841
LogD (pH = 7.4)
2.8123841
Log P
2.8123841
Molar Refractivity
77.4655
Polarizability
29.696512
Polar Surface Area
29.54
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