Molecule

ID:18747

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₃
Molecular Mass
249.30556
Exact Mass
249.13649347
Charge
0
InChI
InChI=1S/C14H19NO3/c16-14(17)12-4-6-13(7-5-12)18-11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2,(H,16,17)
InChIKey
XARCCBKWQPACEO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)OCCN1CCCCC1
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCCCC1)O
Calculated Properties
JChem
Acid pKa
4.1514893
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.39756048
LogD (pH = 7.4)
-0.3938536
Log P
-0.3869644
Molar Refractivity
69.9385
Polarizability
27.017662
Polar Surface Area
49.77
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