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Chemical ID: 7724668
Chemical ID:
7724668
Name [?]:
None
SMILES [?]:
CCN1CCN(C(=O)C1=O)CC(=O)Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C16H21N3O3/c1-4-18-7-8-19(16(22)15(18)21)10-14(20)17-13-6-5-11(2)9-12(13)3/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,22,21,2,17,16,4,5,19,11,18,20,15,12,9,7,14,3,6,13,10,8/rA:22nCCNCCNCOCOCCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s3s7;d9;s6;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O3 |
All Atoms: | 43 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.68635 |
Area: | 510.12 |
Solvation: | -4.06664 |
Coulombic: | -57.1474 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.79 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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