Chemical ID: 7370916

CCCOc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
7370916
Name [?]:
3-(4-chloro-3-nitro-phenyl)-1-(4-propoxyphenyl)-prop-2-en-1-one
SMILES [?]:
CCCOc1ccc(cc1)C(=O)C=Cc2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C18H16ClNO4/c1-2-11-24-15-7-5-14(6-8-15)18(21)10-4-13-3-9-16(19)17(12-13)20(22)23/h3-10,12H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,14,7,9,6,10,17,13,3,20,15,8,5,18,19,11,24,21,12,22,23,4/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:24nCCCOCCCCCCCOCCCCCCCCN+OO-Cl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16ClNO4
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.15191
Area:576.007
Solvation:-9.24827
Coulombic:-28.5462
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:345.777
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.93
LogP (Chemaxon):5.04

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