Molecule

ID:62855

General Information
Structure
Molecular Formula
C₁₁H₁₅ClN₄O
Molecular Mass
254.716
Exact Mass
254.0934388
Charge
0
InChI
InChI=1S/C11H14N4O.ClH/c1-15-11-8(3-2-4-13-11)10(14-15)9-7-12-5-6-16-9;/h2-4,9,12H,5-7H2,1H3;1H
InChIKey
STPLIIPLHGJNNB-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c2c1nccc2)C1CNCCO1.Cl
Isomeric Smiles
n1c(c2c(n1C)nccc2)C1OCCNC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1747673
LogD (pH = 7.4)
-0.44555348
Log P
0.20304994
Molar Refractivity
70.6304
Polarizability
23.6949
Polar Surface Area
51.97
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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