Molecule

ID:46035

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-13(2,3)10-5-4-6-11(7-10)15-12-8-14-9-12/h4-7,12,14H,8-9H2,1-3H3
InChIKey
KNUBXYPUEMLXNB-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1)OC1CNC1)(C)C
Isomeric Smiles
c1(C(C)(C)C)cc(OC2CNC2)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.031379845
LogD (pH = 7.4)
1.680024
Log P
2.8844695
Molar Refractivity
61.6127
Polarizability
24.63479
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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