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Chemical ID: 5198129
Chemical ID:
5198129
Name [?]:
N'-(4-aziridin-1-ylbutyl)-N-phenyl-oxamide
SMILES [?]:
c1ccc(cc1)NC(=O)C(=O)NCCCCN2CC2
InChi [?]:
InChI=1/C14H19N3O2/c18-13(15-8-4-5-9-17-10-11-17)14(19)16-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,18)(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,15,3,5,13,16,18,19,4,10,8,12,7,17,11,9/E:(2,3)(6,7)(10,11)/rA:19nCCCCCCNCOCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;d10;s10;s12;s13;s14;s15;s16;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N3O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91362 |
Area: | 498.348 |
Solvation: | -2.54507 |
Coulombic: | -51.8103 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 261.32 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.82 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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