Molecule

ID:10227

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₄
Molecular Mass
242.31952
Exact Mass
242.1531466
Charge
0
InChI
InChI=1S/C14H18N4/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4,15H2,1-3H3
InChIKey
HVCMPZYQDQNWBN-UHFFFAOYSA-N
Canonic Smiles
CCN(c1nc(C)cc(n1)C)c1ccc(cc1)N
Isomeric Smiles
c1c(nc(nc1C)N(c1ccc(cc1)N)CC)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.0986536
LogD (pH = 7.4)
2.1815863
Log P
2.1827457
Molar Refractivity
74.6832
Polarizability
27.62114
Polar Surface Area
55.04
Rotatable Bonds
3
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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