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Chemical ID: 4706042
Chemical ID:
4706042
Name [?]:
None
SMILES [?]:
CC1=CC(=O)Nc2cccc3c2n1nc3
InChi [?]:
InChI=1/C11H9N3O/c1-7-5-10(15)13-9-4-2-3-8-6-12-14(7)11(8)9/h2-6H,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,3,15,2,11,7,4,12,14,6,13,5/rA:15nCCCCONCCCCCCNNC/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s2s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28307 |
Area: | 344.02 |
Solvation: | -2.31743 |
Coulombic: | -24.4822 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 199.209 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.35 |
LogP (Chemaxon): | 0.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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