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Chemical ID: 3966073
Chemical ID:
3966073
Name [?]:
None
SMILES [?]:
CN(C)CCCN1c2ccccc2CCc3c1cc(cc3)Cl
InChi [?]:
InChI=1/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,10,5,12,9,14,15,21,20,4,6,18,13,16,19,8,17,22,2,7/E:(1,2)/rA:22nCNCCCCNCCCCCCCCCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;s7s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23ClN2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.374 |
Area: | 523.035 |
Solvation: | -1.70186 |
Coulombic: | -13.2516 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 314.852 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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