Chemical ID: 7221309

Cc1cc(ccc1c2ccc(o2)C=NNC(=O)c3cc4c5ccccc5ccc4o3)C(=O)[O-]
Chemical ID:
7221309
Name [?]:
None
SMILES [?]:
Cc1cc(ccc1c2ccc(o2)C=NNC(=O)c3cc4c5ccccc5ccc4o3)C(=O)[O-]
InChi [?]:
InChI=1/C26H18N2O5/c1-15-12-17(26(30)31)6-9-19(15)22-11-8-18(32-22)14-27-28-25(29)24-13-21-20-5-3-2-4-16(20)7-10-23(21)33-24/h2-14H,1H3,(H,28,29)(H,30,31)/p-1
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,27,10,6,28,9,3,19,13,2,26,4,11,7,21,20,8,29,18,16,31,14,15,17,32,33,12,30/E:(30,31)/rA:33nCCCCCCCCCCCOCNNCOCCCCCCCCCCCCOCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;d10;s8s11;s11;w13;s14;s15;d16;s16;d18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s18s29;s4;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H17N2O5-
All Atoms:50
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:-29.5595
Area:636.644
Solvation:-45.4756
Coulombic:-39.223
Bond Count [?]
All:37
Single:23
Double:14
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:437.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.54
LogP (Chemaxon):4.97

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Descriptor Annotations

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