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Chemical ID: 4907821
Chemical ID:
4907821
Name [?]:
None
SMILES [?]:
C1CCC(CC1)N2Cc3c(nc4c(n3)c(nc(n4)N)O)C2=O
InChi [?]:
InChI=1/C14H16N6O2/c15-14-18-11-10(12(21)19-14)16-8-6-20(13(22)9(8)17-11)7-4-2-1-3-5-7/h7H,1-6H2,(H3,15,17,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,4,9,10,13,12,15,21,17,19,14,11,18,16,7,20,22/E:(2,3)(4,5)/rA:22nCCCCCCNCCCNCCNCNCNNOCO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;d10;s11;s12;d9s13;d13;s15;d16;d12s17;s17;s15;s7s10;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N6O2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70851 |
Area: | 470.732 |
Solvation: | -3.05979 |
Coulombic: | -74.3956 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 300.316 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 0.84 |
LogP (Chemaxon): | 0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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