Molecule

ID:47653

General Information
Structure
Molecular Formula
C₁₅H₁₇ClN₂
Molecular Mass
260.76188
Exact Mass
260.10802623
Charge
0
InChI
InChI=1S/C15H17ClN2/c1-2-18(11-12-6-4-3-5-7-12)15-9-8-13(16)10-14(15)17/h3-10H,2,11,17H2,1H3
InChIKey
FUMLSEQDDQESQX-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1N)Cl)Cc1ccccc1
Isomeric Smiles
c1(N(Cc2ccccc2)CC)c(cc(cc1)Cl)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9329627
LogD (pH = 7.4)
3.9376297
Log P
3.9376895
Molar Refractivity
79.353
Polarizability
29.583946
Polar Surface Area
29.26
Rotatable Bonds
4
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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