Chemical ID: 5091996

c1cc2cnccc2c(c1)C(=O)O
Chemical ID:
5091996
Name [?]:
isoquinoline-5-carboxylic acid
SMILES [?]:
c1cc2cnccc2c(c1)C(=O)O
InChi [?]:
InChI=1/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,10,7,6,4,3,8,9,11,5,12,13/E:(12,13)/rA:13nCCCCNCCCCCCOO/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.10668
Area:321.815
Solvation:-1.9387
Coulombic:-32.9115
Bond Count [?]
All:14
Single:8
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:173.168
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.65
LogP (Chemaxon):0.07

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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