Chemical ID: 7245177

c1cc(ccc1CC#N)OCC2CO2
Chemical ID:
7245177
Name [?]:
2-[4-(oxiran-2-ylmethoxy)phenyl]acetonitrile
SMILES [?]:
c1cc(ccc1CC#N)OCC2CO2
InChi [?]:
InChI=1/C11H11NO2/c12-6-5-9-1-3-10(4-2-9)13-7-11-8-14-11/h1-4,11H,5,7-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,7,8,11,13,6,3,12,9,10,14/E:(1,2)(3,4)/rA:14cCCCCCCCCNOCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;t8;s3;s10;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO2
All Atoms:25
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:4.97294
Area:390.182
Solvation:-4.78162
Coulombic:-17.9368
Bond Count [?]
All:15
Single:11
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:189.211
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.11
LogP (Chemaxon):1.49

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Descriptor Annotations

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