Chemical ID: 3966088

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
Chemical ID:
3966088
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl
InChi [?]:
InChI=1/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,21,19,22,13,14,3,7,4,6,11,12,18,17,15,10,8,23,16,9,2,5/E:(8,9)(10,11)/rA:23nCNCCNCCCNCCCCCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.4568
Area:502.786
Solvation:-2.11288
Coulombic:-29.89
Bond Count [?]
All:26
Single:19
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:326.823
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.74
LogP (Chemaxon):3.69

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Experimental Annotations

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Descriptor Annotations

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