Molecule

ID:40900

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂ClN₃
Molecular Mass
315.84038
Exact Mass
315.1502254
Charge
0
InChI
InChI=1S/C18H22ClN3/c1-14-4-3-5-15(2)18(14)22-10-8-21(9-11-22)13-16-6-7-17(19)20-12-16/h3-7,12H,8-11,13H2,1-2H3
InChIKey
VNJFRVCGHPNPOD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)CN1CCN(CC1)c1c(C)cccc1C
Isomeric Smiles
N1(c2c(cccc2C)C)CCN(Cc2cnc(Cl)cc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1122332
LogD (pH = 7.4)
4.215821
Log P
4.2862744
Molar Refractivity
94.9409
Polarizability
35.626514
Polar Surface Area
19.37
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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