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Chemical ID: 7729415
Chemical ID:
7729415
Name [?]:
None
SMILES [?]:
COCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H15ClN6O3/c1-25-7-6-17-12(23)8-21-9-18-14-13(15(21)24)19-20-22(14)11-4-2-10(16)3-5-11/h2-5,9H,6-8H2,1H3,(H,17,23)
InChi Info:
AuxInfo=1/1/N:1,21,23,20,24,4,3,8,10,22,19,6,13,12,14,25,5,11,16,17,9,18,7,15,2/E:(2,3)(4,5)/rA:25nCOCCNCOCNCNCCCONNNCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15ClN6O3 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.10979 |
Area: | 576.395 |
Solvation: | -5.30009 |
Coulombic: | -55.7203 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.07 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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