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Chemical ID: 4919975
Chemical ID:
4919975
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)C4(c5ccccc5C(=O)C4(O3)O)O
InChi [?]:
InChI=1/C19H12O4/c20-17-13-7-3-4-8-14(13)18(21)15-9-11-5-1-2-6-12(11)10-16(15)23-19(17,18)22/h1-10,21-22H
InChi Info:
AuxInfo=1/0/N:1,2,15,14,10,3,16,13,8,5,9,4,17,12,7,6,18,11,20,19,23,22,21/rA:23cCCCCCCCCCCCCCCCCCCOCOOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;s11;s12;d13;s14;d15;d12s16;s17;d18;s11s18;s6s20;s20;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.35839 |
Area: | 460.071 |
Solvation: | -4.1434 |
Coulombic: | -56.0071 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 304.296 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.01 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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