Molecule

ID:14767

General Information
Structure
Molecular Formula
C₁₄H₂₃ClN₂O
Molecular Mass
270.79822
Exact Mass
270.14989105
Charge
0
InChI
InChI=1S/C14H22N2O.ClH/c1-16(2)13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14;/h5-8,14-15H,3-4,9-11H2,1-2H3;1H
InChIKey
UGUUIGZYCPCCEX-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)CNCC1CCCO1)C.Cl
Isomeric Smiles
c1(ccc(cc1)CNCC1CCCO1)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1372424
LogD (pH = 7.4)
0.08793778
Log P
2.0582275
Molar Refractivity
71.9893
Polarizability
27.698967
Polar Surface Area
24.5
Rotatable Bonds
5
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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