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Chemical ID: 4726590
Chemical ID:
4726590
Name [?]:
None
SMILES [?]:
c1coc2c1C(=O)C3CCC(=O)N3C2
InChi [?]:
InChI=1/C10H9NO3/c12-9-2-1-7-10(13)6-3-4-14-8(6)5-11(7)9/h3-4,7H,1-2,5H2
InChi Info:
AuxInfo=1/0/N:9,10,1,2,14,5,8,4,11,6,13,12,7,3/rA:14cCCOCCCOCCCCONC/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s9;s10;d11;s8s11;s4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.88455 |
Area: | 333.299 |
Solvation: | -3.44793 |
Coulombic: | -29.5167 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 191.183 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | -0.44 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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