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Chemical ID: 4570500
Chemical ID:
4570500
Name [?]:
None
SMILES [?]:
c1cc2n(c(=O)c1)CC3CC2CN(C3)C(=O)CCN
InChi [?]:
InChI=1/C14H19N3O2/c15-5-4-13(18)16-7-10-6-11(9-16)12-2-1-3-14(19)17(12)8-10/h1-3,10-11H,4-9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,7,17,18,10,14,8,12,9,11,3,15,5,19,13,4,16,6/rA:19cCCCNCOCCCCCCNCCOCCN/rB:s1;d2;s3;s4;d5;d1s5;s4;s8;s9;s3s10;s11;s12;s9s13;s13;d15;s15;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.87881 |
Area: | 413.632 |
Solvation: | -3.46198 |
Coulombic: | -42.3198 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 261.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -1.17 |
LogP (Chemaxon): | -0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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