Molecule

ID:86276

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈ClN₃
Molecular Mass
263.76582
Exact Mass
263.11892527
Charge
0
InChI
InChI=1S/C14H18ClN3/c15-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,7-11H2
InChIKey
BXRPHRDCYXUHDU-UHFFFAOYSA-N
Canonic Smiles
N#CCCCN1CCN(CC1)c1cccc(c1)Cl
Isomeric Smiles
N1(c2cccc(c2)Cl)CCN(CC1)CCCC#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.73909074
LogD (pH = 7.4)
2.313277
Log P
2.59406
Molar Refractivity
75.8598
Polarizability
28.70144
Polar Surface Area
30.27
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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