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Chemical ID: 5797979
Chemical ID:
5797979
Name [?]:
None
SMILES [?]:
CC1(CCN2CCC(c3c2c1cc(c3)[N+](=O)[O-])(C)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C26H26N2O2/c1-25(19-9-5-3-6-10-19)13-15-27-16-14-26(2,20-11-7-4-8-12-20)23-18-21(28(29)30)17-22(25)24(23)27/h3-12,17-18H,13-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,28,22,27,29,21,23,26,30,20,24,3,7,4,6,12,14,25,19,13,11,9,10,2,8,5,15,16,17/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(22,23)(25,26)(29,30)/CRV:28.5/rA:30cCCCCNCCCCCCCCCN+OO-CCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5s9;s2d10;s11;d12;d9s13;s13;d15;s15;s8;s8;s19;d20;s21;d22;d19s23;s2;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26N2O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.72391 |
Area: | 576.931 |
Solvation: | -6.69937 |
Coulombic: | -22.7538 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.497 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 7.23 |
LogP (Chemaxon): | 7.55 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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