Molecule

ID:117299

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₄
Molecular Mass
256.3461
Exact Mass
256.16879666
Charge
0
InChI
InChI=1S/C15H20N4/c1-11-9-15(19-7-5-18(2)6-8-19)17-14-4-3-12(16)10-13(11)14/h3-4,9-10H,5-8,16H2,1-2H3
InChIKey
AEYTVTXTVQVNJQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)N
Isomeric Smiles
c1(nc2c(c(c1)C)cc(N)cc2)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.39914593
LogD (pH = 7.4)
1.8113158
Log P
2.365017
Molar Refractivity
80.5131
Polarizability
31.0288
Polar Surface Area
45.39
Rotatable Bonds
1
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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