Molecule
ID:112971
General Information
Molecular Formula
C₉H₇IN₂
Molecular Mass
270.06975
Exact Mass
269.96539623
Charge
0
InChI
InChI=1S/C9H7IN2/c10-7-4-6-2-1-3-8(11)9(6)12-5-7/h1-5H,11H2
InChIKey
DXMKBPNVNXDMHP-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1)cccc2N
Isomeric Smiles
n1c2c(cc(c1)I)cccc2N
Calculated Properties
JChem
Acid pKa
19.845272
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.230346
LogD (pH = 7.4)
2.2309117
Log P
2.230919
Molar Refractivity
58.0422
Polarizability
23.091005
Polar Surface Area
38.91
Rotatable Bonds
0
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
No Data Available
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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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