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Chemical ID: 7232221
Chemical ID:
7232221
Name [?]:
8-azido-5-ethyl-6-phenyl-phenanthridin-3-amine
SMILES [?]:
CC[n+]1c2cc(ccc2c3ccc(cc3c1c4ccccc4)N=[N+]=[N-])N
InChi [?]:
InChI=1/C21H17N5/c1-2-26-20-12-15(22)8-10-18(20)17-11-9-16(24-25-23)13-19(17)21(26)14-6-4-3-5-7-14/h3-13,22H,2H2,1H3/p+1
InChi Info:
AuxInfo=1/5/N:1,2,20,19,21,18,22,7,12,8,11,5,14,17,6,13,10,9,15,4,16,26,25,23,24,3/E:(4,5)(6,7)/CRV:25.5/rA:26nCCN+CCCCCCCCCCCCCCCCCCCNN+N-N/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;d10s14;d3s15;s16;s17;d18;s19;d20;d17s21;s13;d23;d24;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N5+ |
All Atoms: | 44 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -18.4346 |
Area: | 533.77 |
Solvation: | -31.7788 |
Coulombic: | -5.86959 |
Bond Count [?]
All: | 29 |
Single: | 17 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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