Molecule

ID:29494

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClNO
Molecular Mass
303.82638
Exact Mass
303.13899201
Charge
0
InChI
InChI=1S/C18H22ClNO/c1-12-5-6-16(9-13(12)2)20-7-8-21-17-10-14(3)18(19)15(4)11-17/h5-6,9-11,20H,7-8H2,1-4H3
InChIKey
RANOEANPOKFNBX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)NCCOc1cc(C)c(c(c1)C)Cl
Isomeric Smiles
c1(c(cc(cc1C)OCCNc1cc(c(cc1)C)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.6852403
LogD (pH = 7.4)
5.7469573
Log P
5.7478037
Molar Refractivity
91.7736
Polarizability
34.338814
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
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