Chemical ID: 6393093

c1cc2c(cc1CNC(=O)CC#N)OCO2
Chemical ID:
6393093
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-3-nitrido-propanamide
SMILES [?]:
c1cc2c(cc1CNC(=O)CC#N)OCO2
InChi [?]:
InChI=1/C11H10N2O3/c12-4-3-11(14)13-6-8-1-2-9-10(5-8)16-7-15-9/h1-2,5H,3,6-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,5,7,15,6,3,4,9,13,8,10,16,14/rA:16nCCCCCCCNCOCCNOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;t12;s4;s14;s3s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.55081
Area:410.102
Solvation:-4.70173
Coulombic:-37.6683
Bond Count [?]
All:17
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.209
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.07
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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