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Chemical ID: 7706753
Chemical ID:
7706753
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N=Nc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCCC4
InChi [?]:
InChI=1/C17H17N5O3/c1-25-11-6-4-5-10(9-11)19-20-14-15-18-13-8-3-2-7-12(13)17(24)22(15)21-16(14)23/h4-6,9,18H,2-3,7-8H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,24,5,6,4,22,25,8,7,3,15,14,11,12,20,16,13,9,10,19,18,21,17,2/rA:25nCOCCCCCCNNCCNCCCONNCOCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;d14;s15;d16;s12s16;s18;s11s19;d20;s15;s22;s23;s14s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N5O3 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.69515 |
Area: | 532.549 |
Solvation: | -3.61858 |
Coulombic: | -55.9593 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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