Chemical ID: 4563925

Cc1ccc(cc1)C(=NO)COc2ccc3c(c2)oc(=O)c4c3CCC4
Chemical ID:
4563925
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=NO)COc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C21H19NO4/c1-13-5-7-14(8-6-13)19(22-24)12-25-15-9-10-17-16-3-2-4-18(16)21(23)26-20(17)11-15/h5-11,24H,2-4,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,3,7,4,6,14,15,18,11,2,5,13,23,16,22,8,17,20,9,21,10,12,19/E:(5,6)(7,8)/rA:26nCCCCCCCCNOCOCCCCCCOCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s8;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s20;s16d22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.22892
Area:559.794
Solvation:-4.76591
Coulombic:-39.8354
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:349.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):4.18

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