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Chemical ID: 4272148
Chemical ID:
4272148
Name [?]:
3,3,6,6-tetramethyl-9-(3-nitrophenyl)-2,4,5,7-tetrahydroacridine-1,8-dione
SMILES [?]:
CC1(Cc2c(c(c3c(n2)CC(CC3=O)(C)C)c4cccc(c4)[N+](=O)[O-])C(=O)C1)C
InChi [?]:
InChI=1/C23H24N2O4/c1-22(2)9-15-20(17(26)11-22)19(13-6-5-7-14(8-13)25(28)29)21-16(24-15)10-23(3,4)12-18(21)27/h5-8H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,15,16,19,18,20,22,3,10,28,12,17,21,4,8,26,13,6,5,7,2,11,9,23,27,14,24,25/E:(1,2,3,4)(9,10)(11,12)(15,16)(17,18)(20,21)(22,23)(26,27)(28,29)/CRV:25.5/rA:29nCCCCCCCCNCCCCOCCCCCCCCN+OO-COCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s7s12;d13;s11;s11;s6;s17;d18;s19;d20;d17s21;s21;d23;s23;s5;d26;s2s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.30955 |
Area: | 563.447 |
Solvation: | -7.77663 |
Coulombic: | -32.9412 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 392.448 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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