Chemical ID: 7684436

c1cc(ccc1CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4)F
Chemical ID:
7684436
Name [?]:
None
SMILES [?]:
c1cc(ccc1CNC(=O)c2nc(no2)c3ccc4c(c3)OCO4)F
InChi [?]:
InChI=1/C17H12FN3O4/c18-12-4-1-10(2-5-12)8-19-16(22)17-20-15(21-25-17)11-3-6-13-14(7-11)24-9-23-13/h1-7H,8-9H2,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,21,7,23,6,16,3,19,20,13,9,11,25,8,12,14,10,24,22,15/E:(1,2)(4,5)/rA:25nCCCCCCCNCOCNCNOCCCCCCOCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s13;s16;d17;s18;d19;d16s20;s20;s22;s19s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12FN3O4
All Atoms:37
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:9.12661
Area:541.42
Solvation:-4.4089
Coulombic:-57.0139
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.2
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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