Molecule

ID:62384

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇ClN₂
Molecular Mass
294.86268
Exact Mass
294.18627655
Charge
0
InChI
InChI=1S/C17H26N2.ClH/c1-19-15(12-14-8-4-2-5-9-14)13-16-17(19)10-6-3-7-11-18-16;/h2,4-5,8-9,15-18H,3,6-7,10-13H2,1H3;1H/t15-,16+,17-;/m1./s1
InChIKey
FFUNDYLHDCUESW-UNLWNTODSA-N
Canonic Smiles
CN1[C@H](Cc2ccccc2)C[C@H]2[C@H]1CCCCCN2.Cl
Isomeric Smiles
Cl.N1([C@@H](C[C@H]2[C@H]1CCCCCN2)Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.916347
LogD (pH = 7.4)
0.07929809
Log P
3.2015712
Molar Refractivity
80.7301
Polarizability
32.166737
Polar Surface Area
15.27
Rotatable Bonds
2
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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