Molecule

ID:12982

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO
Molecular Mass
215.29088
Exact Mass
215.13101417
Charge
0
InChI
InChI=1S/C14H17NO/c16-11-4-3-10-15-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-16H,3-4,10-11H2
InChIKey
ZHKPFNWNKYUXFV-UHFFFAOYSA-N
Canonic Smiles
OCCCCNc1cccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(ccc2)NCCCCO
Calculated Properties
JChem
Acid pKa
15.972559
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.270117
LogD (pH = 7.4)
2.3220174
Log P
2.322721
Molar Refractivity
68.5043
Polarizability
27.040972
Polar Surface Area
32.26
Rotatable Bonds
5
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