Molecule

ID:19225

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆ClN₃
Molecular Mass
201.69644
Exact Mass
201.10327521
Charge
0
InChI
InChI=1S/C9H15N3.ClH/c1-2-9(6-10-3-1)7-12-5-4-11-8-12;/h4-5,8-10H,1-3,6-7H2;1H
InChIKey
NCBFZNYASAXATO-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Cn1cncc1.Cl
Isomeric Smiles
C1(CCCNC1)Cn1ccnc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.539308
LogD (pH = 7.4)
-2.605954
Log P
0.22436753
Molar Refractivity
48.7851
Polarizability
18.907555
Polar Surface Area
29.85
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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