Molecule

ID:103909

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃ClN₂
Molecular Mass
302.84162
Exact Mass
302.15497643
Charge
0
InChI
InChI=1S/C18H22N2.ClH/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20;/h2-5,7-10,19H,6,11-14H2,1H3;1H
InChIKey
XAEWZDYWZHIUCT-UHFFFAOYSA-N
Canonic Smiles
CNCCCN1c2ccccc2CCc2c1cccc2.Cl
Isomeric Smiles
Cl.CNCCCN1c2c(CCc3c1cccc3)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.67586446
LogD (pH = 7.4)
1.3685079
Log P
3.895521
Molar Refractivity
85.3109
Polarizability
32.823364
Polar Surface Area
15.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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