Molecule

ID:48408

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c1-8-3-2-4-14(7-8)10-6-12-5-9(11)13-10/h5-6,8H,2-4,7H2,1H3
InChIKey
HUHYVRHJMZWXIQ-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1cncc(n1)Cl
Isomeric Smiles
n1c(N2CC(CCC2)C)cncc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2799609
LogD (pH = 7.4)
2.279963
Log P
2.2799633
Molar Refractivity
58.966
Polarizability
21.954556
Polar Surface Area
29.02
Rotatable Bonds
1
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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