Chemical ID: 4369757

Cc1cc(cc(c1Cl)C)Oc2ccc(c(c2)C#N)C#N
Chemical ID:
4369757
Name [?]:
4-(4-chloro-3,5-dimethyl-phenoxy)benzene-1,2-dicarbonitrile
SMILES [?]:
Cc1cc(cc(c1Cl)C)Oc2ccc(c(c2)C#N)C#N
InChi [?]:
InChI=1/C16H11ClN2O/c1-10-5-15(6-11(2)16(10)17)20-14-4-3-12(8-18)13(7-14)9-19/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,13,12,3,5,16,19,17,2,6,14,15,11,4,7,8,20,18,10/E:(1,2)(5,6)(10,11)/rA:20nCCCCCCCClCOCCCCCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s13;d14;d11s15;s15;t17;s14;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.42377
Area:481.682
Solvation:-2.61826
Coulombic:-14.4263
Bond Count [?]
All:21
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:282.724
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.02
LogP (Chemaxon):4.56

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