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Chemical ID: 7694395
Chemical ID:
7694395
Name [?]:
None
SMILES [?]:
CCC1=C(C(C(=C(O1)N)C(=O)OC)c2cccnc2)C#N
InChi [?]:
InChI=1/C15H15N3O3/c1-3-11-10(7-16)12(9-5-4-6-18-8-9)13(14(17)21-11)15(19)20-2/h4-6,8,12H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,16,15,17,20,19,14,4,3,5,6,7,10,21,9,18,11,12,8/rA:21cCCCCCCCONCOOCCCCCNCCN/rB:s1;s2;d3;s4;s5;d6;s3s7;s7;s6;d10;s10;s12;s5;s14;d15;s16;d17;d14s18;s4;t20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N3O3 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.91299 |
Area: | 459.481 |
Solvation: | -3.57405 |
Coulombic: | -49.0996 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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