Chemical ID: 4443885

c1ccc(cc1)c2cc(=O)oc3c2cc4c(c3)oc5c4CCCC5
Chemical ID:
4443885
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)oc3c2cc4c(c3)oc5c4CCCC5
InChi [?]:
InChI=1/C21H16O3/c22-21-11-15(13-6-2-1-3-7-13)17-10-16-14-8-4-5-9-18(14)23-19(16)12-20(17)24-21/h1-3,6-7,10-12H,4-5,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,3,5,21,24,14,8,17,4,20,7,15,13,19,16,12,9,10,18,11/E:(2,3)(6,7)/rA:24nCCCCCCCCCOOCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;s7s12;d13;s14;d15;d12s16;s16;s18;s15d19;s20;s21;s22;s19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.54455
Area:496.913
Solvation:-2.87826
Coulombic:-27.292
Bond Count [?]
All:28
Single:19
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:316.35
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.43
LogP (Chemaxon):5.22

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Experimental Annotations

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Descriptor Annotations

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