Chemical ID: 4567921

CCc1c(c2cc3c(cc2oc1=O)oc(c3c4ccccc4)C)C
Chemical ID:
4567921
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)oc(c3c4ccccc4)C)C
InChi [?]:
InChI=1/C21H18O3/c1-4-15-12(2)16-10-17-19(11-18(16)24-21(15)22)23-13(3)20(17)14-8-6-5-7-9-14/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,20,19,21,18,22,6,9,4,15,17,3,5,7,10,8,16,12,13,14,11/E:(6,7)(8,9)/rA:24nCCCCCCCCCCOCOOCCCCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.0433
Area:511.118
Solvation:-2.73462
Coulombic:-27.9667
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:318.366
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.87
LogP (Chemaxon):5.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue