Chemical ID: 4567744

Cc1c(c(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC)C
Chemical ID:
4567744
Name [?]:
None
SMILES [?]:
Cc1c(c(=O)oc2c1cc3c(coc3c2C)c4cccc(c4)OC)C
InChi [?]:
InChI=1/C21H18O4/c1-11-12(2)21(22)25-20-13(3)19-17(9-16(11)20)18(10-24-19)14-6-5-7-15(8-14)23-4/h5-10H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,16,24,19,18,20,22,9,12,2,3,15,17,21,8,10,11,14,7,4,5,23,13,6/rA:25nCCCCOOCCCCCCOCCCCCCCCCOCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s15;s11;s17;d18;s19;d20;d17s21;s21;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.98375
Area:527.539
Solvation:-4.20473
Coulombic:-33.9038
Bond Count [?]
All:28
Single:19
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.31
LogP (Chemaxon):5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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