Chemical ID: 3967299

CN1CCN(CC1)C2=Nc3ccccc3Oc4c2cc(cc4)Cl
Chemical ID:
3967299
Name [?]:
None
SMILES [?]:
CN1CCN(CC1)C2=Nc3ccccc3Oc4c2cc(cc4)Cl
InChi [?]:
InChI=1/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,13,11,14,21,22,3,7,4,6,19,20,18,10,17,15,8,23,9,2,5,16/E:(8,9)(10,11)/rA:23nCNCCNCCCNCCCCCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s9;s10;d11;s12;d13;d10s14;s15;s16;s8s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H18ClN3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.94639
Area:498.724
Solvation:-2.52172
Coulombic:-26.6703
Bond Count [?]
All:26
Single:19
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:327.808
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):3.87

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Experimental Annotations

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Descriptor Annotations

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