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Chemical ID: 4561109
Chemical ID:
4561109
Name [?]:
None
SMILES [?]:
CC1=CC2c3cccc4c3c(c[nH]4)CC2N(C1)C
InChi [?]:
InChI=1/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,7,6,8,3,14,12,17,2,11,5,4,9,15,10,13,16/rA:18cCCCCCCCCCCCCNCCNCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s9s12;s11;s4s14;s15;s2s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H18N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.86662 |
Area: | 388.949 |
Solvation: | -1.8571 |
Coulombic: | -16.5946 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 238.328 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.91 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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