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Chemical ID: 7306733
Chemical ID:
7306733
Name [?]:
3-(1H-indol-3-yl)-1-(4-propylpiperazin-1-yl)-propan-1-one
SMILES [?]:
CCCN1CCN(CC1)C(=O)CCc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C18H25N3O/c1-2-9-20-10-12-21(13-11-20)18(22)8-7-15-14-19-17-6-4-3-5-16(15)17/h3-6,14,19H,2,7-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,21,19,22,13,12,3,5,9,6,8,15,14,18,17,10,16,4,7,11/E:(10,11)(12,13)/rA:22nCCCNCCNCCCOCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s7;d10;s10;s12;s13;d14;s15;s16;s14s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H25N3O |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4783 |
Area: | 527.798 |
Solvation: | -2.71666 |
Coulombic: | -32.0126 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 299.411 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.05 |
LogP (Chemaxon): | 2.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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