Molecule

ID:101409

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₂
Molecular Mass
207.26888
Exact Mass
207.12592879
Charge
0
InChI
InChI=1S/C12H17NO2/c1-13(2)7-4-8-15-12-6-3-5-11(9-12)10-14/h3,5-6,9-10H,4,7-8H2,1-2H3
InChIKey
CMVPGTWBRBJOQR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCCCN(C)C
Isomeric Smiles
O=Cc1cc(OCCCN(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3171288
LogD (pH = 7.4)
0.4226685
Log P
1.6066811
Molar Refractivity
61.9897
Polarizability
23.63273
Polar Surface Area
29.54
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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