Chemical ID: 4110523

c1ccc2c(c1)ccc3c2ncc(c3O)C(=O)O
Chemical ID:
4110523
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2ncc(c3O)C(=O)O
InChi [?]:
InChI=1/C14H9NO3/c16-13-10-6-5-8-3-1-2-4-9(8)12(10)15-7-11(13)14(17)18/h1-7H,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,12,5,4,9,13,10,14,16,11,15,17,18/E:(17,18)/rA:18nCCCCCCCCCCNCCCOCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.9729
Area:396.274
Solvation:-2.93395
Coulombic:-49.2773
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.226
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.8
LogP (Chemaxon):1.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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