Molecule

ID:77004

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13/h3-6,11H,7-10,14H2,1-2H3
InChIKey
CRLKNBUQRZOYSE-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCN(CC1)c1ccc(cc1)N)C
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CC1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3762113
LogD (pH = 7.4)
0.65702844
Log P
1.8728663
Molar Refractivity
70.4045
Polarizability
26.316702
Polar Surface Area
32.5
Rotatable Bonds
2
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
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References
Bioactivity
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