Chemical ID: 5797979

CC1(CCN2CCC(c3c2c1cc(c3)[N+](=O)[O-])(C)c4ccccc4)c5ccccc5
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

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Experimental Annotations

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Descriptor Annotations

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