Chemical ID: 5795885

c1cc(cc(c1)[N+](=O)[O-])C=CC(=O)c2ccc(cc2)Cl
Chemical ID:
5795885
Name [?]:
1-(4-chlorophenyl)-3-(3-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=CC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H10ClNO3/c16-13-7-5-12(6-8-13)15(18)9-4-11-2-1-3-14(10-11)17(19)20/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,15,19,16,18,11,4,3,14,17,5,12,20,7,13,8,9/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:20nCCCCCCN+OO-CCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClNO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.84265
Area:477.757
Solvation:-7.10128
Coulombic:-23.1108
Bond Count [?]
All:21
Single:12
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:287.698
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.48

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