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Chemical ID: 5467430
Chemical ID:
5467430
Name [?]:
None
SMILES [?]:
CC1CC1C(=O)OCc2cc(=O)oc3c2c4ccccc4cc3
InChi [?]:
InChI=1/C19H16O4/c1-11-8-15(11)19(21)22-10-13-9-17(20)23-16-7-6-12-4-2-3-5-14(12)18(13)16/h2-7,9,11,15H,8,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,22,23,3,10,8,2,21,9,16,4,14,11,15,5,12,6,7,13/rA:23cCCCCCOOCCCCOOCCCCCCCCCC/rB:s1;s2;s2s3;s4;d5;s5;s7;s8;d9;s10;d11;s11;s13;s9s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.70384 |
Area: | 499.724 |
Solvation: | -2.78927 |
Coulombic: | -38.8739 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 308.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.6 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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