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Chemical ID: 7432810
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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