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Chemical ID: 6848924
Chemical ID:
6848924
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c[nH+]c2c3ccccc3ccc2c1NC4CCCCC4
InChi [?]:
InChI=1/C22H24N2O2/c1-2-26-22(25)19-14-23-20-17-11-7-6-8-15(17)12-13-18(20)21(19)24-16-9-4-3-5-10-16/h6-8,11-14,16H,2-5,9-10H2,1H3,(H,23,24)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,24,23,25,13,12,14,22,26,11,16,17,7,15,21,10,18,6,9,19,4,8,20,5,3/E:(4,5)(9,10)/rA:26nCCOCOCCN+CCCCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;d6s18;s19;s20;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N2O2+ |
All Atoms: | 51 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -19.4028 |
Area: | 543.943 |
Solvation: | -33.0013 |
Coulombic: | -23.4738 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 349.446 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.65 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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