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Chemical ID: 6703030
Chemical ID:
6703030
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C23c4ccccc4C(=O)N2CC[NH2+]3
InChi [?]:
InChI=1/C16H14N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-9,17H,10-11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,3,5,12,9,18,17,4,13,8,14,7,19,16,15/E:(2,3)(6,7)/rA:19cCCCCCCCCCCCCCCONCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;s16;s17;s7s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N2O+ |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -24.8917 |
Area: | 413.475 |
Solvation: | -35.2286 |
Coulombic: | 20.0953 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 251.303 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.46 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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