Chemical ID: 4726590

c1coc2c1C(=O)C3CCC(=O)N3C2
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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