Chemical ID: 5229155

CC(=CCc1c2ccc(=O)oc2c(c3c1cco3)O)C
Chemical ID:
5229155
Name [?]:
None
SMILES [?]:
CC(=CCc1c2ccc(=O)oc2c(c3c1cco3)O)C
InChi [?]:
InChI=1/C16H14O4/c1-9(2)3-4-10-11-5-6-13(17)20-16(11)14(18)15-12(10)7-8-19-15/h3,5-8,18H,4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,3,4,7,8,16,17,2,5,6,15,9,13,14,12,10,19,18,11/E:(1,2)/rA:20nCCCCCCCCCOOCCCCCCOOC/rB:s1;d2;s3;s4;s5;s6;d7;s8;d9;s9;d6s11;s12;d13;d5s14;s15;d16;s14s17;s13;s2;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.76788
Area:446.055
Solvation:-4.3835
Coulombic:-42.175
Bond Count [?]
All:22
Single:15
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:270.28
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.29
LogP (Chemaxon):4.61

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Descriptor Annotations

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