Chemical ID: 5205429

Cc1cc(=O)c(cc(=O)[nH]1)Cl
Chemical ID:
5205429
Name [?]:
4-chloro-7-methyl-1H-azepine-2,5-dione
SMILES [?]:
Cc1cc(=O)c(cc(=O)[nH]1)Cl
InChi [?]:
InChI=1/C7H6ClNO2/c1-4-2-6(10)5(8)3-7(11)9-4/h2-3H,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,3,7,2,6,4,8,11,10,5,9/rA:11nCCCCOCCCONCl/rB:s1;d2;s3;d4;s4;d6;s7;d8;s2s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClNO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.38219
Area:317.278
Solvation:-2.54977
Coulombic:-27.5122
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:171.581
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.28
LogP (Chemaxon):0.62

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Descriptor Annotations

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