Molecule

ID:129170

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₄O₄
Molecular Mass
360.40756
Exact Mass
360.17975527
Charge
0
InChI
InChI=1S/C18H24N4O4/c1-18(2,3)25-17(23)22-10-6-14(7-11-22)24-12-15-20-16(21-26-15)13-4-8-19-9-5-13/h4-5,8-9,14H,6-7,10-12H2,1-3H3
InChIKey
LHZWKWCEAXQUMX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)OCc1onc(n1)c1ccncc1)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N1CCC(CC1)OCc1nc(no1)c1ccncc1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.7628627
LogD (pH = 7.4)
1.7633996
Log P
1.7634064
Molar Refractivity
105.9739
Polarizability
36.985855
Polar Surface Area
90.58
Rotatable Bonds
6
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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