Chemical ID: 4231268

CCc1cc(=O)oc2c1cc3c(c2)occ3c4ccccc4
Chemical ID:
4231268
Name [?]:
None
SMILES [?]:
CCc1cc(=O)oc2c1cc3c(c2)occ3c4ccccc4
InChi [?]:
InChI=1/C19H14O3/c1-2-12-8-19(20)22-18-10-17-15(9-14(12)18)16(11-21-17)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,18,22,4,10,13,15,3,17,9,11,16,12,8,5,6,14,7/E:(4,5)(6,7)/rA:22nCCCCCOOCCCCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;s5;s7;s3s8;d9;s10;d11;d8s12;s12;s14;s11d15;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.82264
Area:472.374
Solvation:-2.98672
Coulombic:-27.5592
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.313
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.49
LogP (Chemaxon):5.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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