Molecule

ID:62090

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN₃
Molecular Mass
211.69126
Exact Mass
211.08762514
Charge
0
InChI
InChI=1S/C10H14ClN3/c1-14-4-2-8(3-5-14)9-6-12-7-10(11)13-9/h6-8H,2-5H2,1H3
InChIKey
DMMWHPPOUCZNAE-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)c1cncc(n1)Cl
Isomeric Smiles
n1c(C2CCN(CC2)C)cncc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.8664892
LogD (pH = 7.4)
-0.10971265
Log P
0.9801188
Molar Refractivity
57.9281
Polarizability
22.256207
Polar Surface Area
29.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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