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Chemical ID: 4971480
Chemical ID:
4971480
Name [?]:
4-bis(4-formylphenyl)aminobenzaldehyde
SMILES [?]:
c1cc(ccc1C=O)N(c2ccc(cc2)C=O)c3ccc(cc3)C=O
InChi [?]:
InChI=1/C21H15NO3/c23-13-16-1-7-19(8-2-16)22(20-9-3-17(14-24)4-10-20)21-11-5-18(15-25)6-12-21/h1-15H
InChi Info:
AuxInfo=1/0/N:1,5,12,14,20,22,2,4,11,15,19,23,7,16,24,6,13,21,3,10,18,9,8,17,25/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15)(16,17,18)(19,20,21)(23,24,25)/rA:25nCCCCCCCONCCCCCCCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s3;s9;s10;d11;s12;d13;d10s14;s13;d16;s9;s18;d19;s20;d21;d18s22;s21;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15NO3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20558 |
Area: | 550.613 |
Solvation: | -5.55973 |
Coulombic: | -28.2357 |
Bond Count [?]
All: | 27 |
Single: | 15 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 329.349 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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