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Chemical ID: 6304247
Chemical ID:
6304247
Name [?]:
methyl 4-(1,5-dimethylpyrazol-4-yl)carbonylaminobenzoate
SMILES [?]:
Cc1c(cnn1C)C(=O)Nc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C14H15N3O3/c1-9-12(8-15-17(9)2)13(18)16-11-6-4-10(5-7-11)14(19)20-3/h4-8H,1-3H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,20,13,15,12,16,4,2,14,11,3,8,17,5,10,6,9,18,19/E:(4,5)(6,7)/rA:20nCCCCNNCCONCCCCCCCOOC/rB:s1;d2;s3;d4;s2s5;s6;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.278 |
Area: | 474.799 |
Solvation: | -3.59198 |
Coulombic: | -43.6707 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.287 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.66 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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