Molecule

ID:28953

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₈ClN
Molecular Mass
307.81662
Exact Mass
307.11277726
Charge
0
InChI
InChI=1S/C20H18ClN/c1-15-19(21)8-5-9-20(15)22-14-16-10-12-18(13-11-16)17-6-3-2-4-7-17/h2-13,22H,14H2,1H3
InChIKey
AICNXFKPKQTTOZ-UHFFFAOYSA-N
Canonic Smiles
Cc1c(cccc1Cl)NCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c(NCc2ccc(c3ccccc3)cc2)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.9314804
LogD (pH = 7.4)
5.9351416
Log P
5.9351883
Molar Refractivity
95.8466
Polarizability
37.584385
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
false
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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