Chemical ID: 4565829

Cc1c(oc2c1cc3c(c(c(=O)oc3c2)CCC(=O)O)C)C
Chemical ID:
4565829
Name [?]:
None
SMILES [?]:
Cc1c(oc2c1cc3c(c(c(=O)oc3c2)CCC(=O)O)C)C
InChi [?]:
InChI=1/C17H16O5/c1-8-10(3)21-14-7-15-13(6-12(8)14)9(2)11(17(20)22-15)4-5-16(18)19/h6-7H,4-5H2,1-3H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,22,16,17,7,15,2,9,3,10,6,8,5,14,18,11,19,20,12,4,13/E:(18,19)/rA:22nCCCOCCCCCCCOOCCCCCOOCC/rB:s1;d2;s3;s4;s2s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;s16;s17;d18;s18;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16O5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.22757
Area:489.95
Solvation:-4.02118
Coulombic:-50.22
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:300.306
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.07
LogP (Chemaxon):3.67

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Descriptor Annotations

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