Chemical ID: 6915247

Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C
Chemical ID:
6915247
Name [?]:
None
SMILES [?]:
Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=C)C
InChi [?]:
InChI=1/C34H34N4O4.Mg/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);/q;+4/p-2
InChi Info:
AuxInfo=1/6/N:38,42,36,43,35,1,37,41,30,18,31,19,27,8,4,23,11,39,28,2,10,40,29,17,12,26,7,3,9,5,24,16,32,20,13,6,25,15,33,34,21,22;14/E:(39,40)(41,42);/rA:43cCCCCCN+CCCCCCNMg4NCCCCCOOCCN+CCCCCCCOOCCCCCCCCC/rB:s1;s2;d3;s4;d5;s6;d7;s8;d9;s10;d11;s9s12;s6s13;s3s14;s15;d2s16;s17;s18;s19;d20;s20;d16;s23;s14d24;s25;s12d26;s26;s24d28;s29;s30;s31;d32;s32;s28;s11;s10;d37;s7;s5d39;s40;d41;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C34H32MgN4O4+2
All Atoms:75
Heavy Atoms:43
Chiral Atoms:1
ZAP Information [?]
Total:42.5894
Area:835.109
Solvation:21.7117
Coulombic:None
Bond Count [?]
All:50
Single:35
Double:15
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:584.947
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.33
LogP (Chemaxon):3.69

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Descriptor Annotations

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