Molecule

ID:81761

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁ClN₄O
Molecular Mass
332.82784
Exact Mass
332.14038899
Charge
0
InChI
InChI=1S/C17H21ClN4O/c1-17(2,3)16(23)22-10-8-21(9-11-22)15-14(18)19-12-6-4-5-7-13(12)20-15/h4-7H,8-11H2,1-3H3
InChIKey
LWIQLURPLHTKAT-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)N1CCN(CC1)c1nc2ccccc2nc1Cl
Isomeric Smiles
n1c(c(nc2ccccc12)Cl)N1CCN(C(=O)C(C)(C)C)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6992517
LogD (pH = 7.4)
3.6993506
Log P
3.699352
Molar Refractivity
92.0823
Polarizability
36.186058
Polar Surface Area
49.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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