Molecule

ID:4448

General Information
Structure
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Molecular Formula
C₁₄H₁₄N₂
Molecular Mass
210.27436
Exact Mass
210.11569846
Charge
0
InChI
InChI=1S/C14H14N2/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)
InChIKey
CNIIGCLFLJGOGP-UHFFFAOYSA-N
Canonic Smiles
C1CN=C(N1)Cc1cccc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)cccc2CC1=NCCN1
Calculated Properties
Provided by Enamine
CLogP
3.83
H Donor
1
Polar Surface Area
24.39
Rotatable Bonds
2
JChem
Polar Surface Area
24.39
H Donor
1
H Acceptors
2
Rotatable Bonds
2
Lipinski's Rule of Five
true
Log P
2.19
LogD (pH = 5.5)
-0.22
LogD (pH = 7.4)
-0.07
Molar Refractivity
65.52
Polarizability
26.72
LOG S
-3.06
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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