Chemical ID: 4259795

Cc1cc(=O)c2c(o1)cc3c(c2OC)cco3
Chemical ID:
4259795
Name [?]:
None
SMILES [?]:
Cc1cc(=O)c2c(o1)cc3c(c2OC)cco3
InChi [?]:
InChI=1/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,15,16,3,9,2,11,4,10,7,6,12,5,13,17,8/rA:17nCCCCOCCOCCCCOCCCO/rB:s1;d2;s3;d4;s4;s6;s2s7;d7;s9;d10;d6s11;s12;s13;s11;d15;s10s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10O4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.3715
Area:380.617
Solvation:-4.14393
Coulombic:-27.7386
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:230.216
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.87
LogP (Chemaxon):2.51

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Descriptor Annotations

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