Molecule

ID:38278

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄ClN₅
Molecular Mass
297.82686
Exact Mass
297.17202347
Charge
0
InChI
InChI=1S/C14H23N5.ClH/c1-15-14-11-9-19(2)8-5-12(11)17-13(18-14)10-3-6-16-7-4-10;/h10,16H,3-9H2,1-2H3,(H,15,17,18);1H
InChIKey
MUSKMYFQOCONNK-UHFFFAOYSA-N
Canonic Smiles
CNc1nc(nc2c1CN(C)CC2)C1CCNCC1.Cl
Isomeric Smiles
n1c(c2c(nc1C1CCNCC1)CCN(C2)C)NC.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.080158
LogD (pH = 7.4)
-1.796469
Log P
0.7933996
Molar Refractivity
79.5601
Polarizability
29.524239
Polar Surface Area
53.08
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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