Molecule

ID:20552

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO
Molecular Mass
213.275
Exact Mass
213.11536411
Charge
0
InChI
InChI=1S/C14H15NO/c1-10-3-5-12(6-4-10)16-13-7-8-14(15)11(2)9-13/h3-9H,15H2,1-2H3
InChIKey
NPNGZRWBRIXCPA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)Oc1ccc(cc1)C)N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6501832
LogD (pH = 7.4)
3.6711755
Log P
3.67145
Molar Refractivity
67.0816
Polarizability
25.354265
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