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Chemical ID: 6356552
Chemical ID:
6356552
Name [?]:
3-(3,4-dichlorophenyl)-N-(4-nitrophenyl)-prop-2-enamide
SMILES [?]:
c1cc(ccc1NC(=O)C=Cc2ccc(c(c2)Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H10Cl2N2O3/c16-13-7-1-10(9-14(13)17)2-8-15(20)18-11-3-5-12(6-4-11)19(21)22/h1-9H,(H,18,20)
InChi Info:
AuxInfo=1/1/N:13,11,1,5,2,4,14,10,17,12,6,3,15,16,8,19,18,7,20,9,21,22/E:(3,4)(5,6)(21,22)/CRV:19.5/rA:22nCCCCCCNCOCCCCCCCCClClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s15;s3;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.60942 |
Area: | 520.992 |
Solvation: | -7.41539 |
Coulombic: | -34.3732 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.157 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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