Molecule

ID:47631

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₂
Molecular Mass
198.6925
Exact Mass
198.09237617
Charge
0
InChI
InChI=1S/C10H15ClN2/c1-3-13(4-2)10-6-5-8(11)7-9(10)12/h5-7H,3-4,12H2,1-2H3
InChIKey
ZAGDLEHRMCBYNA-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)Cl)CC
Isomeric Smiles
c1(c(ccc(c1)Cl)N(CC)CC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5044055
LogD (pH = 7.4)
2.5691333
Log P
2.5700243
Molar Refractivity
59.489
Polarizability
21.823528
Polar Surface Area
29.26
Rotatable Bonds
3
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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