Chemical ID: 5067540

c1cc(ccc1OCCCC#N)Cl
Chemical ID:
5067540
Name [?]:
4-(4-chlorophenoxy)butanenitrile
SMILES [?]:
c1cc(ccc1OCCCC#N)Cl
InChi [?]:
InChI=1/C10H10ClNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,8H2
InChi Info:
AuxInfo=1/0/N:10,9,2,4,1,5,11,8,3,6,13,12,7/E:(3,4)(5,6)/rA:13nCCCCCCOCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;t11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10ClNO
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.02068
Area:394.27
Solvation:-2.83607
Coulombic:-10.3183
Bond Count [?]
All:13
Single:9
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.645
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.57
LogP (Chemaxon):2.62

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Descriptor Annotations

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