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Chemical ID: 4105034
Chemical ID:
4105034
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNc2c3ccccc3nc4c2CCC4
InChi [?]:
InChI=1/C19H18N2/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19/h1-5,7-9,11H,6,10,12-13H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,20,3,5,11,19,14,21,7,4,10,18,15,17,9,8,16/E:(2,3)(7,8)/rA:21nCCCCCCCNCCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.76419 |
Area: | 464.014 |
Solvation: | -1.83615 |
Coulombic: | -19.2049 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 274.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.83 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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