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Chemical ID: 4243427
Chemical ID:
4243427
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)C(CC3)O
InChi [?]:
InChI=1/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,14,5,4,12,10,7,11,9,15,8/rA:15cCCCCCCCONCNCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s9s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.27714 |
Area: | 352.692 |
Solvation: | -2.54017 |
Coulombic: | -39.808 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.209 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.29 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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