Chemical ID: 4735425

c1ccc2c(c1)c(=O)oc(=O)c3n2ccc3
Chemical ID:
4735425
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)oc(=O)c3n2ccc3
InChi [?]:
InChI=1/C12H7NO3/c14-11-8-4-1-2-5-9(8)13-7-3-6-10(13)12(15)16-11/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,15,6,3,16,14,5,4,12,7,10,13,8,11,9/rA:16nCCCCCCCOOCOCNCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;d10;s10;s4s12;s13;d14;d12s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.69487
Area:355.704
Solvation:-2.19774
Coulombic:-37.136
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:213.189
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):1.78

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Descriptor Annotations

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