Chemical ID: 6720860

Cc1c(cnn1C)C(=O)Nc2ccc(cc2)C(=O)[O-]
Chemical ID:
6720860
Name [?]:
4-(1,5-dimethylpyrazol-4-yl)carbonylaminobenzoate
SMILES [?]:
Cc1c(cnn1C)C(=O)Nc2ccc(cc2)C(=O)[O-]
InChi [?]:
InChI=1/C13H13N3O3/c1-8-11(7-14-16(8)2)12(17)15-10-5-3-9(4-6-10)13(18)19/h3-7H,1-2H3,(H,15,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,7,13,15,12,16,4,2,14,11,3,8,17,5,10,6,9,18,19/E:(3,4)(5,6)(18,19)/rA:19nCCCCNNCCONCCCCCCCOO-/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N3O3-
All Atoms:31
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-33.729
Area:446.777
Solvation:-44.8984
Coulombic:-24.1609
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.253
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.86
LogP (Chemaxon):0.91

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Descriptor Annotations

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