Chemical ID: 3965333

c1cc2c(cc[nH]c2=O)c(c1)N
Chemical ID:
3965333
Name [?]:
5-amino-2H-isoquinolin-1-one
SMILES [?]:
c1cc2c(cc[nH]c2=O)c(c1)N
InChi [?]:
InChI=1/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,11,5,6,4,3,10,8,12,7,9/rA:12nCCCCCCNCOCCN/rB:s1;d2;s3;s4;d5;s6;s3s7;d8;d4;d1s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.9836
Area:307.676
Solvation:-1.70829
Coulombic:-38.026
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:160.173
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.74
LogP (Chemaxon):0.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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