Chemical ID: 5650525

c1cc(ccc1C(=O)N)C(=O)O
Chemical ID:
5650525
Name [?]:
4-carbamoylbenzoic acid
SMILES [?]:
c1cc(ccc1C(=O)N)C(=O)O
InChi [?]:
InChI=1/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,10,9,8,11,12/E:(1,2)(3,4)(11,12)/rA:12nCCCCCCCONCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.73542
Area:327.028
Solvation:-2.44027
Coulombic:-53.786
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:165.146
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.52
LogP (Chemaxon):0.21

Name Annotations

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Descriptor Annotations

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