Molecule

ID:121720

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈ClN₃O
Molecular Mass
315.79732
Exact Mass
315.11383989
Charge
0
InChI
InChI=1S/C17H18ClN3O/c18-14-7-5-13(6-8-14)17(22)21-11-9-20(10-12-21)16-4-2-1-3-15(16)19/h1-8H,9-12,19H2
InChIKey
ZZBGVFRBBIAOPT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccccc1N
Isomeric Smiles
C(=O)(N1CCN(c2c(N)cccc2)CC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7719893
LogD (pH = 7.4)
2.7844357
Log P
2.7845967
Molar Refractivity
90.9836
Polarizability
33.541782
Polar Surface Area
49.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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