Molecule

ID:76210

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClNO
Molecular Mass
187.66656
Exact Mass
187.07639175
Charge
0
InChI
InChI=1S/C9H13NO.ClH/c1-8(7-10)11-9-5-3-2-4-6-9;/h2-6,8H,7,10H2,1H3;1H
InChIKey
CGOBBGUREQJPPH-UHFFFAOYSA-N
Canonic Smiles
NCC(Oc1ccccc1)C.Cl
Isomeric Smiles
O(c1ccccc1)C(C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.532986
LogD (pH = 7.4)
-0.46223816
Log P
1.4351658
Molar Refractivity
44.8898
Polarizability
18.071362
Polar Surface Area
35.25
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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