Chemical ID: 4567717

CCc1c(c2cc3c(cc2oc1=O)occ3c4ccccc4)C
Chemical ID:
4567717
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)occ3c4ccccc4)C
InChi [?]:
InChI=1/C20H16O3/c1-3-14-12(2)15-9-16-17(13-7-5-4-6-8-13)11-22-18(16)10-19(15)23-20(14)21/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,20,19,21,18,22,6,9,15,4,17,3,5,7,16,8,10,12,13,14,11/E:(5,6)(7,8)/rA:23nCCCCCCCCCCOCOOCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.4993
Area:494.039
Solvation:-2.85168
Coulombic:-28.0056
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.339
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.64
LogP (Chemaxon):5.71

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Experimental Annotations

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Descriptor Annotations

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