Chemical ID: 6356552

c1cc(ccc1NC(=O)C=Cc2ccc(c(c2)Cl)Cl)[N+](=O)[O-]
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

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