Molecule

ID:51143

General Information
Structure
Molecular Formula
C₁₇H₂₅N₃O
Molecular Mass
287.3999
Exact Mass
287.19976244
Charge
0
InChI
InChI=1S/C17H25N3O/c21-17(16-6-8-18-9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-5,16,18H,6-14H2
InChIKey
NGOVHDBEXKOVET-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCNCC1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.655415
LogD (pH = 7.4)
-1.6985233
Log P
1.0922344
Molar Refractivity
85.3536
Polarizability
33.395817
Polar Surface Area
35.58
Rotatable Bonds
3
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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