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Chemical ID: 4184661
Chemical ID:
4184661
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCN4CCNCC4
InChi [?]:
InChI=1/C18H19N3O2/c22-17-14-5-1-3-13-4-2-6-15(16(13)14)18(23)21(17)12-11-20-9-7-19-8-10-20/h1-6,19H,7-12H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,6,20,22,19,23,17,16,3,9,7,8,11,14,21,18,13,12,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(17,18)(22,23)/rA:23nCCCCCCCCCCCONCOCCNCCNCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68961 |
Area: | 488.51 |
Solvation: | -2.52314 |
Coulombic: | -41.5879 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 309.362 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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