Molecule

ID:20360

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-11(2)14-6-4-5-7-16(14)18-15-9-8-13(17)10-12(15)3/h4-11H,17H2,1-3H3
InChIKey
KQNMOTXZUZHXMQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)Oc1ccccc1C(C)C
Isomeric Smiles
O(c1c(C(C)C)cccc1)c1c(cc(N)cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3421054
LogD (pH = 7.4)
4.402214
Log P
4.4030375
Molar Refractivity
76.2312
Polarizability
29.048065
Polar Surface Area
35.25
Rotatable Bonds
3
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