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Chemical ID: 6794691
Chemical ID:
6794691
Name [?]:
None
SMILES [?]:
CCCn1c(=O)c2c([nH+]c3n2CCN3c4ccc(cc4)CC)n(c1=O)C
InChi [?]:
InChI=1/C19H23N5O2/c1-4-10-24-17(25)15-16(21(3)19(24)26)20-18-22(11-12-23(15)18)14-8-6-13(5-2)7-9-14/h6-9H,4-5,10-12H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,22,26,2,21,17,19,16,20,3,13,12,18,15,7,8,5,10,24,9,23,14,11,4,6,25/E:(6,7)(8,9)/rA:26nCCCNCOCCN+CNCCNCCCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;d9;s7s10;s11;s12;s10s13;s14;s15;d16;s17;d18;d15s19;s18;s21;s8;s4s23;d24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N5O2+ |
All Atoms: | 50 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -18.7424 |
Area: | 557.922 |
Solvation: | -32.6905 |
Coulombic: | -42.9727 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 354.426 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.81 |
LogP (Chemaxon): | 4.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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