Chemical ID: 5017014

Cc1cccc(c1C)C2c3c(c4ccccc4[nH]3)CCN2
Chemical ID:
5017014
Name [?]:
None
SMILES [?]:
Cc1cccc(c1C)C2c3c(c4ccccc4[nH]3)CCN2
InChi [?]:
InChI=1/C19H20N2/c1-12-6-5-8-14(13(12)2)18-19-16(10-11-20-18)15-7-3-4-9-17(15)21-19/h3-9,18,20-21H,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,14,15,4,3,13,5,16,19,20,2,7,6,12,11,17,9,10,21,18/rA:21cCCCCCCCCCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;s12;d13;s14;d15;d12s16;s10s17;s11;s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.71777
Area:453.874
Solvation:-1.62908
Coulombic:-22.0867
Bond Count [?]
All:24
Single:17
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.376
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.91
LogP (Chemaxon):4.5

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Experimental Annotations

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Descriptor Annotations

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