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Chemical ID: 6394181
Chemical ID:
6394181
Name [?]:
4-dimethylamino-N-[(3-hydroxyphenyl)methyleneamino]benzamide
SMILES [?]:
CN(C)c1ccc(cc1)C(=O)NN=Cc2cccc(c2)O
InChi [?]:
InChI=1/C16H17N3O2/c1-19(2)14-8-6-13(7-9-14)16(21)18-17-11-12-4-3-5-15(20)10-12/h3-11,20H,1-2H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,17,16,18,6,8,5,9,20,14,15,7,4,19,10,13,12,2,21,11/E:(1,2)(6,7)(8,9)/rA:21nCNCCCCCCCCONNCCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17N3O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.08068 |
Area: | 490.919 |
Solvation: | -4.1923 |
Coulombic: | -41.9864 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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