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Chemical ID: 5205429
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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