Chemical ID: 4301370

c1cc(cc(c1)[N+](=O)[O-])c2ccc(o2)C=CC(=O)Nc3ccc(cc3)Cl
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

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