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Chemical ID: 6381215
Chemical ID:
6381215
Name [?]:
N-cinnamylideneamino-3-hydroxy-naphthalene-2-carboxamide
SMILES [?]:
c1ccc(cc1)C=CC=NNC(=O)c2cc3ccccc3cc2O
InChi [?]:
InChI=1/C20H16N2O2/c23-19-14-17-11-5-4-10-16(17)13-18(19)20(24)22-21-12-6-9-15-7-2-1-3-8-15/h1-14,23H,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,8,3,5,7,17,20,9,15,22,4,16,21,14,23,12,10,11,24,13/E:(2,3)(7,8)/rA:24nCCCCCCCCCNNCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;s11;d12;s12;s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81509 |
Area: | 537.59 |
Solvation: | -4.62466 |
Coulombic: | -37.285 |
Bond Count [?]
All: | 26 |
Single: | 15 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 316.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 5.55 |
LogP (Chemaxon): | 4.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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