Chemical ID: 7221518

CCC1NC(=NO1)c2ccccc2
Chemical ID:
7221518
Name [?]:
5-ethyl-3-phenyl-4,5-dihydro-1,2,4-oxadiazole
SMILES [?]:
CCC1NC(=NO1)c2ccccc2
InChi [?]:
InChI=1/C10H12N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,13,8,3,5,4,6,7/E:(4,5)(6,7)/rA:13cCCCNCNOCCCCCC/rB:s1;s2;s3;s4;d5;s3s6;s5;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O
All Atoms:25
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.85522
Area:351.927
Solvation:-1.94296
Coulombic:-19.0469
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.215
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.27
LogP (Chemaxon):2.74

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