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Chemical ID: 6041905
Chemical ID:
6041905
Name [?]:
5-(3-pyrrolidin-1-ylcarbonylpropyl)-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-4-one
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)N3CCCC3
InChi [?]:
InChI=1/C16H20N2O3/c19-15(17-9-3-4-10-17)8-5-11-18-13-6-1-2-7-14(13)21-12-16(18)20/h1-2,6-7H,3-5,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,19,20,13,6,3,14,18,21,12,10,5,4,15,8,17,7,16,9,11/E:(3,4)(9,10)/rA:21nCCCCCCNCOCOCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H20N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.2457 |
Area: | 491.49 |
Solvation: | -4.04156 |
Coulombic: | -39.9637 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.342 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.13 |
LogP (Chemaxon): | 0.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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