Molecule

ID:62374

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₄O
Molecular Mass
230.6946
Exact Mass
230.0934388
Charge
0
InChI
InChI=1S/C9H14N4O.ClH/c10-8-5-11-13(6-8)7-9(14)12-3-1-2-4-12;/h5-6H,1-4,7,10H2;1H
InChIKey
RHDWYEJTPAEDNK-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC1)Cn1ncc(c1)N.Cl
Isomeric Smiles
n1(ncc(c1)N)CC(=O)N1CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9036623
LogD (pH = 7.4)
-0.9036302
Log P
-0.9036298
Molar Refractivity
64.903
Polarizability
19.832418
Polar Surface Area
64.15
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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