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Chemical ID: 6636305
Chemical ID:
6636305
Name [?]:
N-cyclopentylideneamino-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILES [?]:
C1CCc2c(c(n[nH]2)C(=O)NN=C3CCCC3)C1
InChi [?]:
InChI=1/C13H18N4O/c18-13(17-14-9-5-1-2-6-9)12-10-7-3-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:15,16,1,2,14,17,18,3,13,5,4,6,9,12,8,7,11,10/E:(1,2)(5,6)/rA:18nCCCCCCNNCONNCCCCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s6;d9;s9;s11;d12;s13;s14;s15;s13s16;s1s5;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N4O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34363 |
Area: | 435.398 |
Solvation: | -2.54132 |
Coulombic: | -29.1718 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 246.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.07 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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