Chemical ID: 6687954

CC(C)(C)OC(=O)NC(Cc1ccccc1)C2CO2
Chemical ID:
6687954
Name [?]:
tert-butyl (1-oxiran-2-yl-2-phenyl-ethyl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC(Cc1ccccc1)C2CO2
InChi [?]:
InChI=1/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,14,13,15,12,16,10,18,11,9,17,6,2,8,7,19,5/E:(1,2,3)(5,6)(7,8)/rA:19cCCCCOCONCCCCCCCCCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21NO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.32939
Area:463.836
Solvation:-3.26652
Coulombic:-43.6732
Bond Count [?]
All:20
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.332
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.72
LogP (Chemaxon):2.5

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Descriptor Annotations

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