Chemical ID: 4506982

c1ccc(cc1)COC(=O)NCCC(=O)Oc2ccc3c4ccccc4c(=O)oc3c2
Chemical ID:
4506982
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COC(=O)NCCC(=O)Oc2ccc3c4ccccc4c(=O)oc3c2
InChi [?]:
InChI=1/C24H19NO6/c26-22(12-13-25-24(28)29-15-16-6-2-1-3-7-16)30-17-10-11-19-18-8-4-5-9-20(18)23(27)31-21(19)14-17/h1-11,14H,12-13,15H2,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,23,24,3,5,22,25,18,19,13,12,31,7,4,17,21,20,26,30,14,27,9,11,15,28,10,8,16,29/E:(2,3)(6,7)/rA:31nCCCCCCCOCONCCCOOCCCCCCCCCCCOOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s14;s16;s17;d18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;d20s29;d17s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19NO6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.4308
Area:668.929
Solvation:-4.29245
Coulombic:-72.513
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.411
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.44
LogP (Chemaxon):4.12

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Descriptor Annotations

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