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Chemical ID: 4582587
Chemical ID:
4582587
Name [?]:
None
SMILES [?]:
CC=C1CN2CCC34C2CC1C(C3Nc5c4cccc5)C
InChi [?]:
InChI=1/C19H24N2/c1-3-13-11-21-9-8-19-15-6-4-5-7-16(15)20-18(19)12(2)14(13)10-17(19)21/h3-7,12,14,17-18,20H,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,18,19,17,20,7,6,10,4,12,3,11,16,15,9,13,8,14,5/rA:21cCCCCNCCCCCCCCNCCCCCCC/rB:s1;w2;s3;s4;s5;s6;s7;s5s8;s9;s3s10;s11;s8s12;s13;s14;s8s15;d16;s17;d18;d15s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 9.38365 |
Area: | 424.441 |
Solvation: | -1.22738 |
Coulombic: | -19.2904 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 280.407 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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