Molecule

ID:127620

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O
Molecular Mass
259.34674
Exact Mass
259.16846231
Charge
0
InChI
InChI=1S/C15H21N3O/c19-15-17(12-13-6-4-5-9-16-13)10-11-18(15)14-7-2-1-3-8-14/h1-3,7-8,13,16H,4-6,9-12H2
InChIKey
MGPOBHIJMZQPIK-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCN1c1ccccc1)CC1CCCCN1
Isomeric Smiles
O=C1N(CC2NCCCC2)CCN1c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6244174
LogD (pH = 7.4)
-0.615597
Log P
1.5630337
Molar Refractivity
75.0746
Polarizability
29.301714
Polar Surface Area
35.58
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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