Chemical ID: 4523682

Cc1cc(=O)oc2c1cc3c(coc3c2C)C
Chemical ID:
4523682
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1cc3c(coc3c2C)C
InChi [?]:
InChI=1/C14H12O3/c1-7-4-12(15)17-14-9(3)13-11(5-10(7)14)8(2)6-16-13/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,16,3,9,12,2,11,15,8,10,4,14,7,5,13,6/rA:17nCCCCOOCCCCCCOCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.00665
Area:392.383
Solvation:-2.80294
Coulombic:-25.3827
Bond Count [?]
All:19
Single:13
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:228.243
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.54
LogP (Chemaxon):4.09

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Experimental Annotations

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Descriptor Annotations

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