Chemical ID: 5807511

CCCC1=NN(C(=O)C1=CNc2ccc(cc2)Cl)c3ccc(cc3)F
Chemical ID:
5807511
Name [?]:
4-[(4-chlorophenyl)aminomethylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
SMILES [?]:
CCCC1=NN(C(=O)C1=CNc2ccc(cc2)Cl)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H17ClFN3O/c1-2-3-18-17(12-22-15-8-4-13(20)5-9-15)19(25)24(23-18)16-10-6-14(21)7-11-16/h4-12,22H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,14,16,21,23,13,17,20,24,10,15,22,12,19,9,4,7,18,25,11,5,6,8/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCNNCOCCNCCCCCCClCCCCCCF/rB:s1;s2;s3;d4;s5;s6;d7;s4s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClFN3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.6227
Area:576.848
Solvation:-2.7985
Coulombic:-32.6558
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:357.809
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.95
LogP (Chemaxon):5.3

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