Molecule

ID:129802

General Information
Structure
MolImage
Molecular Formula
C₈H₂₄N₄Ti
Molecular Mass
224.16996
Exact Mass
224.14804309
Charge
0
InChI
InChI=1S/4C2H6N.Ti/c4*1-3-2;/h4*1-2H3;/q4*-1;+4
InChIKey
MNWRORMXBIWXCI-UHFFFAOYSA-N
Canonic Smiles
CN([Ti](N(C)C)(N(C)C)N(C)C)C
Isomeric Smiles
CN(C)[Ti](N(C)C)(N(C)C)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-4.5969706
LogD (pH = 7.4)
-4.1305056
Log P
-0.8472
Molar Refractivity
55.5736
Polarizability
25.02209
Polar Surface Area
12.96
Rotatable Bonds
4
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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