Chemical ID: 4261543

Cc1ccc(cc1)C2C(=O)c3ccccc3C2=O
Chemical ID:
4261543
Name [?]:
2-(p-tolyl)indane-1,3-dione
SMILES [?]:
Cc1ccc(cc1)C2C(=O)c3ccccc3C2=O
InChi [?]:
InChI=1/C16H12O2/c1-10-6-8-11(9-7-10)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,15,3,7,4,6,2,5,11,16,8,9,17,10,18/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)(17,18)/rA:18nCCCCCCCCCOCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s8s16;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.64825
Area:415.414
Solvation:-2.73711
Coulombic:-17.2082
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:236.265
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.09
LogP (Chemaxon):2.94

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