Molecule

ID:62316

General Information
Structure
Molecular Formula
C₁₄H₁₉ClN₄O
Molecular Mass
294.77986
Exact Mass
294.12473893
Charge
0
InChI
InChI=1S/C14H18N4O.ClH/c1-18-12-5-3-2-4-11(12)17-13(18)6-7-16-14(19)10-8-15-9-10;/h2-5,10,15H,6-9H2,1H3,(H,16,19);1H
InChIKey
DSWLVTRQVFATAT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CNC1)NCCc1nc2c(n1C)cccc2.Cl
Isomeric Smiles
c1(nc2c(n1C)cccc2)CCNC(=O)C1CNC1.Cl
Calculated Properties
JChem
Acid pKa
15.762525
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.0660765
LogD (pH = 7.4)
-1.7149642
Log P
0.26422977
Molar Refractivity
72.7304
Polarizability
29.464243
Polar Surface Area
58.95
Rotatable Bonds
4
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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