Chemical ID: 4499505

Cc1cc(n2c(n1)cc(n2)C(=O)O)C(F)(F)Cl
Chemical ID:
4499505
Name [?]:
2-(chloro-difluoro-methyl)-4-methyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxylic acid
SMILES [?]:
Cc1cc(n2c(n1)cc(n2)C(=O)O)C(F)(F)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H6ClF2N3O2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.04205
Area:396.861
Solvation:-2.87946
Coulombic:-50.7737
Bond Count [?]
All:18
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:261.612
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.79
LogP (Chemaxon):1.6

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Experimental Annotations

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Descriptor Annotations

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