Molecule

ID:125724

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-2-13(15-10-6-7-11-15)14(16)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3
InChIKey
GSESDIFGJCCBHN-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)c1ccccc1)N1CCCC1
Isomeric Smiles
C1CCCN1C(CC)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.05477
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7106953
LogD (pH = 7.4)
2.42393
Log P
2.919476
Molar Refractivity
66.4487
Polarizability
25.930796
Polar Surface Area
20.31
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation