Molecule

ID:130420

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₉NO₂
Molecular Mass
339.47116
Exact Mass
339.21982917
Charge
0
InChI
InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m0/s1
InChIKey
XLMALTXPSGQGBX-PGRDOPGGSA-N
Canonic Smiles
CCC(=O)OC(c1ccccc1)([C@H](CN(C)C)C)Cc1ccccc1
Isomeric Smiles
O=C(OC(c1ccccc1)(Cc1ccccc1)[C@@H](C)CN(C)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5163397
LogD (pH = 7.4)
2.7993603
Log P
4.9021554
Molar Refractivity
102.8806
Polarizability
40.66616
Polar Surface Area
29.54
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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