Molecule

ID:73060

General Information
Structure
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Molecular Formula
C₁₄H₁₅ClN₂
Molecular Mass
246.7353
Exact Mass
246.09237617
Charge
0
InChI
InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H
InChIKey
DJDFFEBSKJCGHC-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(N1)Cc1cccc2c1cccc2.Cl
Isomeric Smiles
c12cccc(c1cccc2)CC1=NCCN1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22005366
LogD (pH = 7.4)
-0.070375994
Log P
2.193117
Molar Refractivity
65.5195
Polarizability
26.432104
Polar Surface Area
24.39
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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