Molecule

ID:54992

General Information
Structure
Molecular Formula
C₁₉H₃₀ClN₅O₂
Molecular Mass
395.9268
Exact Mass
395.20880291
Charge
0
InChI
InChI=1S/C19H29N5O2.ClH/c1-22-16-7-8-20-12-15(16)17(21-22)19(26)24-11-5-6-14(13-24)18(25)23-9-3-2-4-10-23;/h14,20H,2-13H2,1H3;1H
InChIKey
WNFHNPMEAWSXPO-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)C1CCCN(C1)C(=O)c1nn(c2c1CNCC2)C.Cl
Isomeric Smiles
C1CNCc2c1n(nc2C(=O)N1CC(CCC1)C(=O)N1CCCCC1)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6016123
LogD (pH = 7.4)
-0.8910477
Log P
0.09427937
Molar Refractivity
111.9922
Polarizability
38.01383
Polar Surface Area
70.47
Rotatable Bonds
2
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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