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Chemical ID: 3967515
Chemical ID:
3967515
Name [?]:
None
SMILES [?]:
CN1CCN2c3ccccc3Cc4ccccc4C2C1
InChi [?]:
InChI=1/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,9,16,8,14,10,17,7,3,4,12,20,13,11,18,6,19,2,5/rA:20cCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s5s18;s2s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20N2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.61662 |
Area: | 425.986 |
Solvation: | -2.03302 |
Coulombic: | -13.141 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 264.365 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.42 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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