Chemical ID: 6692014

c1ccc2c(c1)Cc3ccccc3O2
Chemical ID:
6692014
Name [?]:
9H-xanthene
SMILES [?]:
c1ccc2c(c1)Cc3ccccc3O2
InChi [?]:
InChI=1/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,7,5,8,4,13,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:14nCCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.90424
Area:336.056
Solvation:-1.49716
Coulombic:-10.0901
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:182.218
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.24
LogP (Chemaxon):3.51

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