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Chemical ID: 7529254
Chemical ID:
7529254
Name [?]:
3-ethoxy-4-(m-tolylmethoxy)benzonitrile
SMILES [?]:
CCOc1cc(ccc1OCc2cccc(c2)C)C#N
InChi [?]:
InChI=1/C17H17NO2/c1-3-19-17-10-14(11-18)7-8-16(17)20-12-15-6-4-5-13(2)9-15/h4-10H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,14,15,13,7,8,17,5,19,11,16,6,12,9,4,20,3,10/rA:20nCCOCCCCCCOCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s6;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2 |
All Atoms: | 37 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.74403 |
Area: | 499.491 |
Solvation: | -4.74324 |
Coulombic: | -18.9985 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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