Molecule

ID:124357

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O
Molecular Mass
264.75058
Exact Mass
264.10294085
Charge
0
InChI
InChI=1S/C14H16N2O.ClH/c15-8-9-16-14(17)10-12-6-3-5-11-4-1-2-7-13(11)12;/h1-7H,8-10,15H2,(H,16,17);1H
InChIKey
PERIBNMFKALPTM-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)Cc1cccc2c1cccc2.Cl
Isomeric Smiles
c1(c2c(ccc1)cccc2)CC(=O)NCCN.Cl
Calculated Properties
JChem
Acid pKa
16.100443
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7215856
LogD (pH = 7.4)
-0.5278958
Log P
1.2202204
Molar Refractivity
68.4845
Polarizability
27.996887
Polar Surface Area
55.12
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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