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Chemical ID: 4738061
Chemical ID:
4738061
Name [?]:
2-[4-[(4-dimethylaminophenyl)methyleneamino]benzoyl]aminoacetic acid
SMILES [?]:
CN(C)c1ccc(cc1)C=Nc2ccc(cc2)C(=O)NCC(=O)O
InChi [?]:
InChI=1/C18H19N3O3/c1-21(2)16-9-3-13(4-10-16)11-19-15-7-5-14(6-8-15)18(24)20-12-17(22)23/h3-11H,12H2,1-2H3,(H,20,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,14,16,13,17,5,9,10,21,7,15,12,4,22,18,11,20,2,23,24,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(22,23)/rA:24nCNCCCCCCCCNCCCCCCCONCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82251 |
Area: | 541.846 |
Solvation: | -3.72364 |
Coulombic: | -60.4062 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 325.362 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.37 |
LogP (Chemaxon): | 1.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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