Molecule

ID:118316

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₄
Molecular Mass
262.39374
Exact Mass
262.21574685
Charge
0
InChI
InChI=1S/C15H26N4/c1-17(2)14-6-4-13(5-7-14)15(12-16)19-10-8-18(3)9-11-19/h4-7,15H,8-12,16H2,1-3H3
InChIKey
QVQJYPNCDDBHAF-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)N(C)C)N1CCN(CC1)C
Isomeric Smiles
N1(C(c2ccc(N(C)C)cc2)CN)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.2795234
LogD (pH = 7.4)
-1.1951859
Log P
1.1325893
Molar Refractivity
82.6994
Polarizability
31.925392
Polar Surface Area
35.74
Rotatable Bonds
4
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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