Chemical ID: 4515573

c1ccc2c(c1)C(=O)c3cccc(c3C2=O)Cl
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue