Chemical ID: 7197290

Cc1cnn(c1)CCC[NH3+]
Chemical ID:
7197290
Name [?]:
3-(4-methylpyrazol-1-yl)propylammonium
SMILES [?]:
Cc1cnn(c1)CCC[NH3+]
InChi [?]:
InChI=1/C7H13N3/c1-7-5-9-10(6-7)4-2-3-8/h5-6H,2-4,8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,9,7,3,6,2,10,4,5/rA:10nCCCNNCCCCN+/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;s9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14N3+
All Atoms:24
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:-32.7132
Area:319.371
Solvation:-40.6975
Coulombic:39.2244
Bond Count [?]
All:10
Single:8
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.206
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.32
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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