Chemical ID: 5669580

c1cc(ccc1N2CCN(CC2)C(=O)c3cc(c(cc3Cl)F)F)N(=O)=O
Chemical ID:
5669580
Name [?]:
(2-chloro-4,5-difluoro-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]-methanone
SMILES [?]:
c1cc(ccc1N2CCN(CC2)C(=O)c3cc(c(cc3Cl)F)F)N(=O)=O
InChi [?]:
InChI=1/C17H14ClF2N3O3/c18-14-10-16(20)15(19)9-13(14)17(24)22-7-5-21(6-8-22)11-1-3-12(4-2-11)23(25)26/h1-4,9-10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,8,12,9,11,16,19,6,3,15,20,17,18,13,21,23,22,7,10,24,14,25,26/E:(1,2)(3,4)(5,6)(7,8)(25,26)/CRV:23.5/rA:26nCCCCCCNCCNCCCOCCCCCCClFFNOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s20;s18;s17;s3;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14ClF2N3O3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.38138
Area:546.341
Solvation:-10.2772
Coulombic:-40.3869
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.761
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.22
LogP (Chemaxon):3.9

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