Chemical ID: 4568320

CCCc1cc(=O)oc2c1c3c(c(c2)C)c(c(o3)C)c4ccccc4
Chemical ID:
4568320
Name [?]:
None
SMILES [?]:
CCCc1cc(=O)oc2c1c3c(c(c2)C)c(c(o3)C)c4ccccc4
InChi [?]:
InChI=1/C22H20O3/c1-4-8-16-12-18(23)25-17-11-13(2)19-20(15-9-6-5-7-10-15)14(3)24-22(19)21(16)17/h5-7,9-12H,4,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,19,2,23,22,24,3,21,25,14,5,13,17,20,4,9,6,12,16,10,11,7,18,8/E:(6,7)(9,10)/rA:25nCCCCCCOOCCCCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s5;d6;s6;s8;s4s9;d10;s11;d12;d9s13;s13;s12;d16;s11s17;s17;s16;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.5059
Area:516.938
Solvation:-2.41761
Coulombic:-28.3894
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:332.392
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.74
LogP (Chemaxon):6.12

Name Annotations

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Descriptor Annotations

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