Molecule

ID:70386

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉Cl₃N₂
Molecular Mass
463.87016
Exact Mass
462.13963198
Charge
0
InChI
InChI=1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H
InChIKey
VCTHNOIYJIXQLV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C.Cl.Cl
Isomeric Smiles
N1(CCN(CC1)Cc1cc(ccc1)C)C(c1ccccc1)c1ccc(cc1)Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7845445
LogD (pH = 7.4)
5.558482
Log P
6.3879414
Molar Refractivity
119.3922
Polarizability
46.576492
Polar Surface Area
6.48
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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