Chemical ID: 4579063

CCCCc1cc(=O)oc2c1cc3c(c2)occ3c4ccc(cc4)C
Chemical ID:
4579063
Name [?]:
None
SMILES [?]:
CCCCc1cc(=O)oc2c1cc3c(c2)occ3c4ccc(cc4)C
InChi [?]:
InChI=1/C22H20O3/c1-3-4-5-16-10-22(23)25-21-12-20-18(11-17(16)21)19(13-24-20)15-8-6-14(2)7-9-15/h6-13H,3-5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,3,4,21,23,20,24,6,12,15,17,22,19,5,11,13,18,14,10,7,8,16,9/E:(6,7)(8,9)/rA:25nCCCCCCCOOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;s7;s9;s5s10;d11;s12;d13;d10s14;s14;s16;s13d17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5616
Area:542.329
Solvation:-2.99666
Coulombic:-27.9524
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.392
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.07
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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