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Chemical ID: 4913429
Chemical ID:
4913429
Name [?]:
None
SMILES [?]:
Cc1c2c(on1)COc3ccccc3C(=O)C2
InChi [?]:
InChI=1/C13H11NO3/c1-8-10-6-11(15)9-4-2-3-5-12(9)16-7-13(10)17-14-8/h2-5H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,17,7,2,14,3,15,9,4,6,16,8,5/rA:17nCCCCONCOCCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s3s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.49402 |
Area: | 378.552 |
Solvation: | -3.96979 |
Coulombic: | -18.1092 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 229.231 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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