Molecule

ID:120581

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇Cl₂N₃O
Molecular Mass
350.24238
Exact Mass
349.07486754
Charge
0
InChI
InChI=1S/C17H17Cl2N3O/c18-13-3-1-12(2-4-13)17(23)22-9-7-21(8-10-22)16-6-5-14(20)11-15(16)19/h1-6,11H,7-10,20H2
InChIKey
QFTYBPMHITZRJQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1Cl)N
Isomeric Smiles
C(=O)(N1CCN(c2c(cc(cc2)N)Cl)CC1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.265756
LogD (pH = 7.4)
3.3868537
Log P
3.3886414
Molar Refractivity
95.7884
Polarizability
35.435486
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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