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Chemical ID: 5088768
Chemical ID:
5088768
Name [?]:
2-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]propanedinitrile
SMILES [?]:
Cc1ccc(cc1)COc2ccc(cc2OC)C=C(C#N)C#N
InChi [?]:
InChI=1/C19H16N2O2/c1-14-3-5-15(6-4-14)13-23-18-8-7-16(10-19(18)22-2)9-17(11-20)12-21/h3-10H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,4,6,12,11,18,14,20,22,8,2,5,13,19,10,15,21,23,16,9/E:(3,4)(5,6)(11,12)(20,21)/rA:23nCCCCCCCCOCCCCCCOCCCCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;d18;s19;t20;s19;t22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09527 |
Area: | 547.087 |
Solvation: | -5.58189 |
Coulombic: | -22.1225 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.343 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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