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Chemical ID: 7664307
Chemical ID:
7664307
Name [?]:
None
SMILES [?]:
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(o2)COc3ccc(c(c3)C)[N+](=O)[O-])CC1
InChi [?]:
InChI=1/C24H31N3O5/c1-5-24(3,4)17-6-8-18(9-7-17)25-26-23(28)22-13-11-20(32-22)15-31-19-10-12-21(27(29)30)16(2)14-19/h10-14,17H,5-9,15H2,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,4,5,2,7,32,8,31,22,16,23,15,26,19,25,6,9,21,17,24,14,12,3,10,11,28,13,29,30,20,18/E:(3,4)(6,7)(8,9)(29,30)/CRV:27.5/rA:32nCCCCCCCCCNNCOCCCCOCOCCCCCCCN+OO-CC/rB:s1;s2;s3;s3;s3;s6;s7;s8;d9;s10;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s24;d28;s28;s9;s6s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O5 |
All Atoms: | 63 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.94701 |
Area: | 709.519 |
Solvation: | -9.79098 |
Coulombic: | -48.1402 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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