Molecule

ID:69139

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃N₃O₂
Molecular Mass
313.39412
Exact Mass
313.17902699
Charge
0
InChI
InChI=1S/C18H23N3O2/c1-18(2,3)23-17(22)21-12-10-20(11-13-21)16-15-7-5-4-6-14(15)8-9-19-16/h4-9H,10-13H2,1-3H3
InChIKey
WVMXGIDINZEYFT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1nccc2c1cccc2)OC(C)(C)C
Isomeric Smiles
N1(CCN(CC1)c1nccc2ccccc12)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1360767
LogD (pH = 7.4)
3.115381
Log P
3.1948164
Molar Refractivity
90.8439
Polarizability
35.82352
Polar Surface Area
45.67
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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