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Chemical ID: 4693598
Chemical ID:
4693598
Name [?]:
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CCNc3ccc(nn3)Cl
InChi [?]:
InChI=1/C14H13ClN4/c15-13-5-6-14(19-18-13)16-8-7-10-9-17-12-4-2-1-3-11(10)12/h1-6,9,17H,7-8H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,15,14,10,11,8,7,5,4,16,13,19,12,9,17,18/rA:19nCCCCCCCCNCCNCCCCNNCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H13ClN4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66079 |
Area: | 473.75 |
Solvation: | -2.18296 |
Coulombic: | -28.3016 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.733 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.96 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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