Molecule

ID:76970

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClN
Molecular Mass
195.68856
Exact Mass
195.08147713
Charge
0
InChI
InChI=1S/C11H14ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-8,13H2
InChIKey
VJISRXVFSSVMQD-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCC1)c1ccc(cc1)Cl
Isomeric Smiles
NCC1(c2ccc(cc2)Cl)CCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.26949897
LogD (pH = 7.4)
0.6919098
Log P
2.7155366
Molar Refractivity
55.7597
Polarizability
22.114845
Polar Surface Area
26.02
Rotatable Bonds
2
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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