Chemical ID: 4704692

c1ccc2c(c1)ccc3c2c4c(o3)cno4
Chemical ID:
4704692
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c4c(o3)cno4
InChi [?]:
InChI=1/C13H7NO2/c1-2-4-9-8(3-1)5-6-10-12(9)13-11(15-10)7-14-16-13/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,14,5,4,9,12,10,11,15,13,16/rA:16nCCCCCCCCCCCCOCNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.97285
Area:359.607
Solvation:-2.01731
Coulombic:-14.1484
Bond Count [?]
All:19
Single:12
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:209.2
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.75
LogP (Chemaxon):3.92

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Descriptor Annotations

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