Chemical ID: 4173742

c1ccc(cc1)CN2CCn3c4ccccc4c5c3C2CCC5
Chemical ID:
4173742
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CN2CCn3c4ccccc4c5c3C2CCC5
InChi [?]:
InChI=1/C21H22N2/c1-2-7-16(8-3-1)15-22-13-14-23-19-11-5-4-9-17(19)18-10-6-12-20(22)21(18)23/h1-5,7-9,11,20H,6,10,12-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,22,3,5,16,23,13,21,9,10,7,4,17,18,12,20,19,8,11/E:(2,3)(7,8)/rA:23cCCCCCCCNCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s11d18;s8s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:10.1673
Area:483.52
Solvation:-1.92069
Coulombic:-13.7331
Bond Count [?]
All:27
Single:20
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:302.413
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.32
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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