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Chemical ID: 4515573
Chemical ID:
4515573
Name [?]:
1-chloroanthracene-9,10-dione
SMILES [?]:
c1ccc2c(c1)C(=O)c3cccc(c3C2=O)Cl
InChi [?]:
InChI=1/C14H7ClO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,11,6,3,10,12,5,4,9,13,14,7,15,17,8,16/rA:17nCCCCCCCOCCCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s11;d12;d9s13;s4s14;d15;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H7ClO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.37046 |
Area: | 385.913 |
Solvation: | -2.27735 |
Coulombic: | -18.4294 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 242.657 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.73 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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