Chemical ID: 6406765

c1cc(cc2c1cc3c([o+]2)C=Cc4ccc(cc4OC3=O)O)O
Chemical ID:
6406765
Name [?]:
None
SMILES [?]:
c1cc(cc2c1cc3c([o+]2)C=Cc4ccc(cc4OC3=O)O)O
InChi [?]:
InChI=1/C18H10O5/c19-12-4-1-10-3-6-15-14(18(21)23-16(10)8-12)7-11-2-5-13(20)9-17(11)22-15/h1-9H,(H-,19,20,21)/p+1
InChi Info:
AuxInfo=1/2/N:14,1,12,15,2,11,7,17,4,13,6,16,3,8,9,18,5,20,22,23,21,10,19/CRV:19-1,22+1/rA:23nCCCCCCCCCO+CCCCCCCCOCOOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s5d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s8s19;d20;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11O5+
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-19.73
Area:467.272
Solvation:-31.4118
Coulombic:-23.4665
Bond Count [?]
All:26
Single:16
Double:10
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:307.277
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):3.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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