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Chemical ID: 4301370
Chemical ID:
4301370
Name [?]:
N-(4-chlorophenyl)-3-[5-(3-nitrophenyl)-2-furyl]-prop-2-enamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C=CC(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H13ClN2O4/c20-14-4-6-15(7-5-14)21-19(23)11-9-17-8-10-18(26-17)13-2-1-3-16(12-13)22(24)25/h1-12H,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,22,24,21,25,12,15,11,16,4,3,23,20,5,13,10,17,26,19,7,18,8,9,14/E:(4,5)(6,7)(24,25)/CRV:22.5/rA:26nCCCCCCN+OO-CCCCOCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s11;d12;s10s13;s13;w15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13ClN2O4 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.88554 |
Area: | 572.132 |
Solvation: | -8.41775 |
Coulombic: | -40.5581 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.77 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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