Chemical ID: 4770905

CCNC(=O)Oc1c2ccccc2on1
Chemical ID:
4770905
Name [?]:
benzo[d]isoxazol-3-yl ethylaminoformate
SMILES [?]:
CCNC(=O)Oc1c2ccccc2on1
InChi [?]:
InChI=1/C10H10N2O3/c1-2-11-10(13)14-9-7-5-3-4-6-8(7)15-12-9/h3-6H,2H2,1H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,9,12,8,13,7,4,3,15,5,6,14/rA:15nCCNCOOCCCCCCCON/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.39698
Area:381.283
Solvation:-2.1351
Coulombic:-40.0163
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.198
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):2.46

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