Molecule

ID:92429

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₄
Molecular Mass
219.27804
Exact Mass
219.14705816
Charge
0
InChI
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m0/s1
InChIKey
UQRORFVVSGFNRO-JLIMGVALSA-N
Canonic Smiles
CCCCN1C[C@@H](O)[C@@H]([C@@H]([C@@H]1CO)O)O
Isomeric Smiles
N1([C@H]([C@H]([C@@H](O)[C@@H](C1)O)O)CO)CCCC
Calculated Properties
JChem
Acid pKa
12.902159
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-4.0550327
LogD (pH = 7.4)
-2.3039815
Log P
-1.1787962
Molar Refractivity
55.7427
Polarizability
22.479631
Polar Surface Area
84.16
Rotatable Bonds
4
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
References
Bioactivity
Navigation