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Chemical ID: 7517303
Chemical ID:
7517303
Name [?]:
4-[3-(4-ethylpiperazin-1-yl)propoxy]benzonitrile
SMILES [?]:
CCN1CCN(CC1)CCCOc2ccc(cc2)C#N
InChi [?]:
InChI=1/C16H23N3O/c1-2-18-9-11-19(12-10-18)8-3-13-20-16-6-4-15(14-17)5-7-16/h4-7H,2-3,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,15,17,14,18,9,4,8,5,7,11,19,16,13,20,3,6,12/E:(4,5)(6,7)(9,10)(11,12)/rA:20nCCNCCNCCCCCOCCCCCCCN/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23N3O |
All Atoms: | 43 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.57783 |
Area: | 512.362 |
Solvation: | -3.23121 |
Coulombic: | -20.8022 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.94 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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