Chemical ID: 6516850

c1ccc2c(c1)ccc3c2c(cc(n3)c4c(cccc4Cl)F)C(=O)O
Chemical ID:
6516850
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(n3)c4c(cccc4Cl)F)C(=O)O
InChi [?]:
InChI=1/C20H11ClFNO2/c21-14-6-3-7-15(22)19(14)17-10-13(20(24)25)18-12-5-2-1-4-11(12)8-9-16(18)23-17/h1-10H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,6,3,19,17,7,8,12,5,4,11,20,16,9,13,10,15,23,21,22,14,24,25/E:(24,25)/rA:25nCCCCCCCCCCCCCNCCCCCCClFCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s13;s15;d16;s17;d18;d15s19;s20;s16;s11;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClFNO2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.45818
Area:498.401
Solvation:-3.00184
Coulombic:-38.8081
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:351.758
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.82
LogP (Chemaxon):5.4

Name Annotations

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Descriptor Annotations

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