Chemical ID: 4776683

c1ccc2cc3c(cc2c1)c(cc(n3)c4ccco4)C(=O)O
Chemical ID:
4776683
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)c(cc(n3)c4ccco4)C(=O)O
InChi [?]:
InChI=1/C18H11NO3/c20-18(21)14-10-16(17-6-3-7-22-17)19-15-9-12-5-2-1-4-11(12)8-13(14)15/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,17,10,3,16,18,8,5,12,9,4,7,11,6,13,15,20,14,21,22,19/E:(20,21)/rA:22nCCCCCCCCCCCCCNCCCCOCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;d11;s12;s6d13;s13;d15;s16;d17;s15s18;s11;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H11NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.16035
Area:470.816
Solvation:-2.61004
Coulombic:-42.0665
Bond Count [?]
All:25
Single:15
Double:10
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:289.285
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.74
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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