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Chemical ID: 5134047
Chemical ID:
5134047
Name [?]:
None
SMILES [?]:
COC(=O)C12Cc3ccccc3C(C1c4c2cccc4)O
InChi [?]:
InChI=1/C18H16O3/c1-21-17(20)18-10-11-6-2-3-7-12(11)16(19)15(18)13-8-4-5-9-14(13)18/h2-9,15-16,19H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,19,18,8,11,20,17,6,7,12,15,16,14,13,3,5,21,4,2/rA:21cCOCOCCCCCCCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s5s13;s14;s5s15;d16;s17;d18;d15s19;s13;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.79901 |
Area: | 433.513 |
Solvation: | -3.03883 |
Coulombic: | -37.943 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.318 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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