Chemical ID: 4719274

c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
Chemical ID:
4719274
Name [?]:
1-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,4-dihydropyridin-2-one
SMILES [?]:
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
InChi [?]:
InChI=1/C14H12ClN3O/c15-11-6-4-10(5-7-11)14-12(9-16-17-14)18-8-2-1-3-13(18)19/h2,4-9H,1,3H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,14,16,1,5,2,4,13,9,6,3,8,17,7,19,10,11,12,18/E:(4,5)(6,7)/rA:19nCCCCCCCCCNNNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s8;s12;d13;s14;s15;s12s16;d17;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12ClN3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.11589
Area:436.485
Solvation:-2.79624
Coulombic:-26.1248
Bond Count [?]
All:21
Single:14
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:273.717
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):2.74

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