Chemical ID: 3965425

CN(C)CCC=C1c2ccccc2CCc3c1cccc3
Chemical ID:
3965425
Name [?]:
None
SMILES [?]:
CN(C)CCC=C1c2ccccc2CCc3c1cccc3
InChi [?]:
InChI=1/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,20,10,19,5,12,21,9,18,6,14,15,4,13,16,8,17,7,2/E:(1,2)(3,4)(5,6)(8,9)(10,11)(13,14)(16,17)(18,19)/rA:21nCNCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.4546
Area:476.771
Solvation:-1.46465
Coulombic:-8.98716
Bond Count [?]
All:23
Single:16
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:277.403
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.93
LogP (Chemaxon):4.89

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Descriptor Annotations

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