Molecule

ID:30412

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₈Cl₂N₂
Molecular Mass
307.30222
Exact Mass
306.16295427
Charge
0
InChI
InChI=1S/C15H26N2.2ClH/c1-13(2)15-8-6-14(7-9-15)12-16-10-5-11-17(3)4;;/h6-9,13,16H,5,10-12H2,1-4H3;2*1H
InChIKey
RYIBIRBEDPCOBS-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccc(cc1)C(C)C)C.Cl.Cl
Isomeric Smiles
c1(ccc(cc1)CNCCCN(C)C)C(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7988288
LogD (pH = 7.4)
-0.36754394
Log P
2.8552082
Molar Refractivity
76.3813
Polarizability
29.955465
Polar Surface Area
15.27
Rotatable Bonds
7
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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