Chemical ID: 4508671

COc1ccc(c(c1)F)c2cc(c3c4ccccc4ccc3n2)C(=O)O
Chemical ID:
4508671
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)F)c2cc(c3c4ccccc4ccc3n2)C(=O)O
InChi [?]:
InChI=1/C21H14FNO3/c1-26-13-7-8-15(17(22)10-13)19-11-16(21(24)25)20-14-5-3-2-4-12(14)6-9-18(20)23-19/h2-11H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,20,4,5,21,8,11,19,3,14,6,12,7,22,10,13,24,9,23,25,26,2/E:(24,25)/rA:26nCOCCCCCCFCCCCCCCCCCCCCNCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;s10;d11;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;d13s21;d10s22;s12;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14FNO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.95005
Area:513.518
Solvation:-4.88789
Coulombic:-44.0683
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:347.339
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.11
LogP (Chemaxon):4.62

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Descriptor Annotations

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