Molecule

ID:130321

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-6,11,14H,2,7-10H2,1H3
InChIKey
YWPHCCPCQOJSGZ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1OCC1CNCCO1
Isomeric Smiles
O(c1ccccc1OCC)CC1OCCNC1
Calculated Properties
Provided by Enamine
CLogP
1.76
H Donor
1
Polar Surface Area
39.72
Rotatable Bonds
5
JChem
Polar Surface Area
39.72
H Donor
1
H Acceptors
4
Rotatable Bonds
5
Lipinski's Rule of Five
true
Log P
1.49
LogD (pH = 5.5)
-1.10
LogD (pH = 7.4)
0.63
Molar Refractivity
65.20
Polarizability
26.00
LOG S
-2.02
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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