Molecule

ID:62241

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClN₅O
Molecular Mass
245.70924
Exact Mass
245.10433784
Charge
0
InChI
InChI=1S/C9H15N5O.ClH/c15-9-13(7-1-2-7)11-12-14(9)8-3-5-10-6-4-8;/h7-8,10H,1-6H2;1H
InChIKey
YYKLAKIDTFSZAI-UHFFFAOYSA-N
Canonic Smiles
O=c1n(nnn1C1CC1)C1CCNCC1.Cl
Isomeric Smiles
n1(c(=O)n(nn1)C1CCNCC1)C1CC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.146611
LogD (pH = 7.4)
-1.2231704
Log P
1.052256
Molar Refractivity
58.132
Polarizability
20.751822
Polar Surface Area
60.3
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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