Chemical ID: 4806141

c1ccc(c(c1)NC(=O)CCc2nc(no2)c3ccc(cc3)Cl)[N+](=O)[O-]
Chemical ID:
4806141
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)-propanamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CCc2nc(no2)c3ccc(cc3)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H13ClN4O4/c18-12-7-5-11(6-8-12)17-20-16(26-21-17)10-9-15(23)19-13-3-1-2-4-14(13)22(24)25/h1-8H,9-10H2,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,10,11,17,20,5,4,8,12,14,23,7,13,15,24,9,25,26,16/E:(5,6)(7,8)(24,25)/CRV:22.5/rA:26nCCCCCCNCOCCCNCNOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s4;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13ClN4O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:7.76317
Area:587.732
Solvation:-6.93012
Coulombic:-46.1564
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:372.762
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):3.87

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Descriptor Annotations

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