Chemical ID: 4738061

CN(C)c1ccc(cc1)C=Nc2ccc(cc2)C(=O)NCC(=O)O
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

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