Molecule

ID:135806

General Information
Structure
MolImage
Molecular Formula
C₁₂H₃₂N₄Ti
Molecular Mass
280.27628
Exact Mass
280.21064334
Charge
0
InChI
InChI=1S/2C4H10N.2C2H6N.Ti/c2*1-3-5-4-2;2*1-3-2;/h2*3-4H2,1-2H3;2*1-2H3;/q4*-1;+4
InChIKey
GCIHPQVQNZQGFC-UHFFFAOYSA-N
Canonic Smiles
CCN([Ti](N(CC)CC)(N(C)C)N(C)C)CC
Isomeric Smiles
CCN(CC)[Ti](N(C)C)(N(C)C)N(CC)CC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-3.3893151
LogD (pH = 7.4)
-2.767764
Log P
0.5228
Molar Refractivity
74.568
Polarizability
32.39092
Polar Surface Area
12.96
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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