Chemical ID: 7432810

c1cc(ccc1OCC(CC#N)O)Cl
Chemical ID:
7432810
Name [?]:
4-(4-chlorophenoxy)-3-hydroxy-butanenitrile
SMILES [?]:
c1cc(ccc1OCC(CC#N)O)Cl
InChi [?]:
InChI=1/C10H10ClNO2/c11-8-1-3-10(4-2-8)14-7-9(13)5-6-12/h1-4,9,13H,5,7H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,10,11,8,3,9,6,14,12,13,7/E:(1,2)(3,4)/rA:14cCCCCCCOCCCCNOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;t11;s9;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10ClNO2
All Atoms:24
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.21316
Area:405.662
Solvation:-4.92839
Coulombic:-25.5841
Bond Count [?]
All:14
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:211.645
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.54
LogP (Chemaxon):2.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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