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Chemical ID: 3961992
Chemical ID:
3961992
Name [?]:
None
SMILES [?]:
CN(C)C(=O)CN1c2ccccc2C(=O)N3CCCC3C1=O
InChi [?]:
InChI=1/C16H19N3O3/c1-17(2)14(20)10-19-12-7-4-3-6-11(12)15(21)18-9-5-8-13(18)16(19)22/h3-4,6-7,13H,5,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,18,12,9,19,17,6,13,8,20,4,14,21,2,16,7,5,15,22/E:(1,2)/rA:22cCNCCOCNCCCCCCCONCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s16s19;s7s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N3O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.13703 |
Area: | 468.227 |
Solvation: | -3.56864 |
Coulombic: | -50.0176 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 301.34 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.35 |
LogP (Chemaxon): | -0.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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