Chemical ID: 4942900

COc1cc2c3ccccc3c(cc2nc1)C(=O)O
Chemical ID:
4942900
Name [?]:
None
SMILES [?]:
COc1cc2c3ccccc3c(cc2nc1)C(=O)O
InChi [?]:
InChI=1/C15H11NO3/c1-19-9-6-12-10-4-2-3-5-11(10)13(15(17)18)7-14(12)16-8-9/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,4,13,16,3,6,11,5,12,14,17,15,18,19,2/E:(17,18)/rA:19nCOCCCCCCCCCCCCNCCOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s5s13;d14;d3s15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.42391
Area:417.801
Solvation:-3.02111
Coulombic:-41.0482
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:253.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.92
LogP (Chemaxon):2.25

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Descriptor Annotations

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