Molecule

ID:124210

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c17-14-8-4-10-16(14)11-5-9-15-12-13-6-2-1-3-7-13;/h1-3,6-7,15H,4-5,8-12H2;1H
InChIKey
YMGAGSHISYQDNM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1CCCNCc1ccccc1.Cl
Isomeric Smiles
N1(C(=O)CCC1)CCCNCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1292098
LogD (pH = 7.4)
-1.1617666
Log P
1.0640962
Molar Refractivity
69.357
Polarizability
27.072214
Polar Surface Area
32.34
Rotatable Bonds
6
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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