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Chemical ID: 5754998
Chemical ID:
5754998
Name [?]:
6-phenylphenanthridine-3,8-diamine
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3c4ccc(cc4n2)N)N
InChi [?]:
InChI=1/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,16,12,15,9,18,4,10,17,13,14,8,19,7,22,21,20/E:(2,3)(4,5)/rA:22nCCCCCCCCCCCCCCCCCCCNNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;s16;d17;d14s18;d7s19;s17;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.91711 |
Area: | 468.849 |
Solvation: | -1.80411 |
Coulombic: | -40.9043 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 285.343 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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