Chemical ID: 4145802

c1ccc2c(c1)c(=O)[nH]c(n2)C(=Cc3ccc(cc3Cl)Cl)C#N
Chemical ID:
4145802
Name [?]:
3-(2,4-dichlorophenyl)-2-(4-oxo-3H-quinazolin-2-yl)-prop-2-enenitrile
SMILES [?]:
c1ccc2c(c1)c(=O)[nH]c(n2)C(=Cc3ccc(cc3Cl)Cl)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H9Cl2N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.8439
Area:523.831
Solvation:-2.2519
Coulombic:-32.6849
Bond Count [?]
All:25
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:342.178
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.81
LogP (Chemaxon):4.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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