Molecule

ID:69962

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₂
Molecular Mass
172.65522
Exact Mass
172.07672611
Charge
0
InChI
InChI=1S/C8H12N2.ClH/c1-6-3-7(2)5-8(4-6)10-9;/h3-5,10H,9H2,1-2H3;1H
InChIKey
RSBQANBNDXZFIY-UHFFFAOYSA-N
Canonic Smiles
NNc1cc(C)cc(c1)C.Cl
Isomeric Smiles
N(N)c1cc(cc(c1)C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1257217
LogD (pH = 7.4)
2.3871326
Log P
2.3917313
Molar Refractivity
45.8471
Polarizability
16.438353
Polar Surface Area
38.05
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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