Molecule

ID:29022

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO
Molecular Mass
193.28536
Exact Mass
193.14666423
Charge
0
InChI
InChI=1S/C12H19NO/c1-12(2,3)9-13-10-6-5-7-11(8-10)14-4/h5-8,13H,9H2,1-4H3
InChIKey
BCHVZIMXMRPDQD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)NCC(C)(C)C
Isomeric Smiles
N(c1cc(OC)ccc1)CC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8423824
LogD (pH = 7.4)
2.9097264
Log P
2.9106567
Molar Refractivity
60.8573
Polarizability
23.210394
Polar Surface Area
21.26
Rotatable Bonds
4
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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