Molecule

ID:48979

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c1-16(11-12-6-3-2-4-7-12)14(17)13-8-5-9-15-10-13;/h2-4,6-7,13,15H,5,8-11H2,1H3;1H
InChIKey
DWTUZNHLPLMHHF-UHFFFAOYSA-N
Canonic Smiles
O=C(N(Cc1ccccc1)C)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7849736
LogD (pH = 7.4)
-0.7665414
Log P
1.4010223
Molar Refractivity
69.1495
Polarizability
27.072113
Polar Surface Area
32.34
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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