Chemical ID: 4734573

c1cc2c(cc1N)OCO2
Chemical ID:
4734573
Name [?]:
benzo[1,3]dioxol-5-amine
SMILES [?]:
c1cc2c(cc1N)OCO2
InChi [?]:
InChI=1/C7H7NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4,8H2
InChi Info:
AuxInfo=1/0/N:1,2,5,9,6,3,4,7,10,8/rA:10nCCCCCCNOCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s3s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.72907
Area:278.284
Solvation:-2.22803
Coulombic:-32.6945
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:137.136
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.96
LogP (Chemaxon):0.95

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Experimental Annotations

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Descriptor Annotations

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