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Chemical ID: 6428923
Chemical ID:
6428923
Name [?]:
[2-(o-tolylamino)phenyl]-(1-piperidyl)methanone
SMILES [?]:
Cc1ccccc1Nc2ccccc2C(=O)N3CCCCC3
InChi [?]:
InChI=1/C19H22N2O/c1-15-9-3-5-11-17(15)20-18-12-6-4-10-16(18)19(22)21-13-7-2-8-14-21/h3-6,9-12,20H,2,7-8,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,4,12,5,11,19,21,3,13,6,10,18,22,2,14,7,9,15,8,17,16/E:(7,8)(13,14)/rA:22nCCCCCCCNCCCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52672 |
Area: | 472.423 |
Solvation: | -2.28385 |
Coulombic: | -30.3954 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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