Molecule

ID:75136

General Information
Structure
Molecular Formula
C₁₂H₂₂N₄
Molecular Mass
222.32988
Exact Mass
222.18444672
Charge
0
InChI
InChI=1S/C12H22N4/c1-5-15-7-4-14-10-2-6-16-8-3-13-9(1)11(16)12(10)15/h9-14H,1-8H2/t9-,10-,11-,12+/m1/s1
InChIKey
GMEFCGMVTLRQCJ-KKOKHZNYSA-N
Canonic Smiles
C1CN2CC[C@@H]3[C@H]4[C@H]2[C@H](N1)CCN4CCN3
Isomeric Smiles
N1[C@@H]2CCN3[C@@H]4[C@@H]2N(CC1)CC[C@H]4NCC3
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-6.9354467
LogD (pH = 7.4)
-4.0990405
Log P
-0.84710485
Molar Refractivity
63.9916
Polarizability
26.029081
Polar Surface Area
30.54
Rotatable Bonds
0
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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