Chemical ID: 5252261

CC(C)Cn1n(o1)CCOC(=O)Nc2ccccc2
Chemical ID:
5252261
Name [?]:
2-(3-isobutyloxadiaziridin-2-yl)ethyl anilinoformate
SMILES [?]:
CC(C)Cn1n(o1)CCOC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C13H19N3O3/c1-11(2)10-16-15(19-16)8-9-18-13(17)14-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,15,19,8,9,4,2,14,11,13,6,5,12,10,7/E:(1,2)(4,5)(6,7)/rA:19cCCCCNNOCCOCONCCCCCC/rB:s1;s2;s2;s4;s5;s5s6;s6;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19N3O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.68813
Area:494.264
Solvation:-2.66847
Coulombic:-35.5378
Bond Count [?]
All:20
Single:16
Double:4
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.308
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.88
LogP (Chemaxon):3.32

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Descriptor Annotations

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