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Chemical ID: 7613591
Chemical ID:
7613591
Name [?]:
None
SMILES [?]:
Cc1c2cc3nc(cc4c(c(c([n-]4)cc5nc(cc(c1CCC(=O)[O-])[n-]2)C(=C5C)CCC(=O)[O-])C)C=C)C(=C3C=C)C
InChi [?]:
InChI=1/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42)/p-4
InChi Info:
AuxInfo=1/6/N:37,41,35,42,29,1,36,40,30,21,31,22,14,8,4,18,11,38,28,2,10,39,27,20,12,15,7,3,9,5,17,19,32,23,13,6,16,26,33,34,24,25/E:(39,40)(41,42)/rA:42nCCCCCNCCCCCCN-CCNCCCCCCCOO-N-CCCCCCOO-CCCCCCCC/rB:s1;s2;w3;s4;d5;s6;w7;s8;d9;s10;d11;s9s12;s12;w14;s15;d16;s17;w18;d2s19;s20;s21;s22;d23;s23;s3s19;s17;s15d27;s28;s27;s30;s31;d32;s32;s11;s10;d36;s7;s5d38;s39;d40;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H30N4O4-4 |
All Atoms: | 72 |
Heavy Atoms: | 42 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -284.799 |
Area: | 804.9 |
Solvation: | -304.922 |
Coulombic: | 209.732 |
Bond Count [?]
All: | 46 |
Single: | 31 |
Double: | 15 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.62 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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