Chemical ID: 4567712

CCc1c(c2cc3c(cc2oc1=O)occ3c4cccc(c4)OC)C
Chemical ID:
4567712
Name [?]:
None
SMILES [?]:
CCc1c(c2cc3c(cc2oc1=O)occ3c4cccc(c4)OC)C
InChi [?]:
InChI=1/C21H18O4/c1-4-15-12(2)16-9-17-18(13-6-5-7-14(8-13)23-3)11-24-19(17)10-20(16)25-21(15)22/h5-11H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,24,2,19,18,20,22,6,9,15,4,17,21,3,5,7,16,8,10,12,13,23,14,11/rA:25nCCCCCCCCCCOCOOCCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s10;s3s11;d12;s8;s14;s7d15;s16;s17;d18;s19;d20;d17s21;s21;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.93397
Area:528.544
Solvation:-4.27964
Coulombic:-34.1138
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.365
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):5.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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