Chemical ID: 4963624

c1cc(c(cc1N2CC2)O)C(=O)O
Chemical ID:
4963624
Name [?]:
4-aziridin-1-yl-2-hydroxy-benzoic acid
SMILES [?]:
c1cc(c(cc1N2CC2)O)C(=O)O
InChi [?]:
InChI=1/C9H9NO3/c11-8-5-6(10-3-4-10)1-2-7(8)9(12)13/h1-2,5,11H,3-4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,5,6,3,4,11,7,10,12,13/E:(3,4)(12,13)/rA:13nCCCCCCNCCOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s7s8;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.06433
Area:335.162
Solvation:-3.31473
Coulombic:-48.5819
Bond Count [?]
All:14
Single:10
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:179.173
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.43
LogP (Chemaxon):2.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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