Molecule

ID:86876

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)7-9-16(4)11-12-6-5-8-15-10-12/h5-6,8,10H,7,9,11H2,1-4H3
InChIKey
ULNBFHFHOICCCE-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1cccnc1)CCC(=O)OC(C)(C)C
Isomeric Smiles
O(C(=O)CCN(Cc1cccnc1)C)C(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.9937767
LogD (pH = 7.4)
0.78035563
Log P
1.6118199
Molar Refractivity
71.8025
Polarizability
28.289587
Polar Surface Area
42.43
Rotatable Bonds
7
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
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References
Bioactivity
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