Molecule

ID:48856

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄ClN₃O
Molecular Mass
297.82356
Exact Mass
297.16079008
Charge
0
InChI
InChI=1S/C15H23N3O.ClH/c1-15(2,16)14(19)18-10-8-17(9-11-18)12-13-6-4-3-5-7-13;/h3-7H,8-12,16H2,1-2H3;1H
InChIKey
XVTTZXIFFUFIFS-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1285799
LogD (pH = 7.4)
-0.3064333
Log P
1.0660567
Molar Refractivity
77.4889
Polarizability
30.440933
Polar Surface Area
49.57
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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