Chemical ID: 4145811

c1ccc(c(c1)C=C(C#N)c2[nH]c(=O)c3ccccc3n2)Br
Chemical ID:
4145811
Name [?]:
3-(2-bromophenyl)-2-(4-oxo-3H-quinazolin-2-yl)-prop-2-enenitrile
SMILES [?]:
c1ccc(c(c1)C=C(C#N)c2[nH]c(=O)c3ccccc3n2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H10BrN3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4145
Area:493.864
Solvation:-1.9321
Coulombic:-32.8129
Bond Count [?]
All:24
Single:14
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:352.185
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.36
LogP (Chemaxon):3.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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