Chemical ID: 5179330

c1ccc(c(c1)C#N)OCCCCCCCCCCOc2ccccc2C#N
Chemical ID:
5179330
Name [?]:
2-[10-(2-cyanophenoxy)decoxy]benzonitrile
SMILES [?]:
c1ccc(c(c1)C#N)OCCCCCCCCCCOc2ccccc2C#N
InChi [?]:
InChI=1/C24H28N2O2/c25-19-21-13-7-9-15-23(21)27-17-11-5-3-1-2-4-6-12-18-28-24-16-10-8-14-22(24)20-26/h7-10,13-16H,1-6,11-12,17-18H2
InChi Info:
AuxInfo=1/0/N:14,15,13,16,12,17,1,24,2,23,11,18,6,25,3,22,10,19,7,27,5,26,4,21,8,28,9,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28nCCCCCCCNOCCCCCCCCCCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3385
Area:710.165
Solvation:-4.41566
Coulombic:-25.681
Bond Count [?]
All:29
Single:21
Double:6
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.491
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.82
LogP (Chemaxon):5.92

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Descriptor Annotations

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