Chemical ID: 5134047

COC(=O)C12Cc3ccccc3C(C1c4c2cccc4)O
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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