Chemical ID: 4760104

CNc1ccc(cc1)C(=O)O
Chemical ID:
4760104
Name [?]:
4-methylaminobenzoic acid
SMILES [?]:
CNc1ccc(cc1)C(=O)O
InChi [?]:
InChI=1/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,6,3,9,2,10,11/E:(2,3)(4,5)(10,11)/rA:11nCNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.16926
Area:315.482
Solvation:-1.71779
Coulombic:-39.614
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.28
LogP (Chemaxon):0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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