Molecule

ID:14063

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N₃O
Molecular Mass
251.3678
Exact Mass
251.19976244
Charge
0
InChI
InChI=1S/C14H25N3O/c1-14(2)10-12(9-13(18)11-14)16-5-8-17-6-3-15-4-7-17/h9,15-16H,3-8,10-11H2,1-2H3
InChIKey
KUNVLFRFOSOFDZ-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(NCCN2CCNCC2)CC(C1)(C)C
Isomeric Smiles
C1(=CC(=O)CC(C1)(C)C)NCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6821094
LogD (pH = 7.4)
-1.1940314
Log P
0.52444524
Molar Refractivity
75.6173
Polarizability
29.079487
Polar Surface Area
44.37
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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