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Chemical ID: 7712443
Chemical ID:
7712443
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)c2ccc(cc2)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C15H21N3O3/c1-17-8-10-18(11-9-17)13-4-2-12(3-5-13)16-14(19)6-7-15(20)21/h2-5H,6-11H2,1H3,(H,16,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,12,9,13,17,18,3,7,4,6,11,8,15,19,14,2,5,16,20,21/E:(2,3)(4,5)(8,9)(10,11)(20,21)/rA:21nCNCCNCCCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21N3O3 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.60213 |
Area: | 500.348 |
Solvation: | -3.90657 |
Coulombic: | -55.1592 |
Bond Count [?]
All: | 22 |
Single: | 17 |
Double: | 5 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.5 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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