Molecule

ID:62660

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃IN₄
Molecular Mass
374.26369
Exact Mass
374.09674476
Charge
0
InChI
InChI=1S/C14H23IN4/c1-10(2)19-7-5-6-11(9-19)13-12(15)8-16-14(17-13)18(3)4/h8,10-11H,5-7,9H2,1-4H3
InChIKey
NBYAZLBGNSZMJT-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC(C1)c1nc(ncc1I)N(C)C)C
Isomeric Smiles
n1c(ncc(c1C1CN(C(C)C)CCC1)I)N(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6284556
LogD (pH = 7.4)
3.1074657
Log P
3.3127964
Molar Refractivity
89.7906
Polarizability
33.888203
Polar Surface Area
32.26
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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