Molecule

ID:110643

General Information
Structure
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Molecular Formula
C₇H₄ClNO
Molecular Mass
153.56576
Exact Mass
152.99814143
Charge
0
InChI
InChI=1S/C7H4ClNO/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey
HHIRBXHEYVDUAM-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc(c1)Cl
Isomeric Smiles
Clc1cc(ccc1)N=C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4868462
LogD (pH = 7.4)
2.4868462
Log P
2.4868462
Molar Refractivity
39.9348
Polarizability
14.537634
Polar Surface Area
29.43
Rotatable Bonds
1
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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