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Chemical ID: 4284850
Chemical ID:
4284850
Name [?]:
N-cyclohexylphenanthridin-6-amine
SMILES [?]:
c1ccc2c(c1)c3ccccc3nc2NC4CCCCC4
InChi [?]:
InChI=1/C19H20N2/c1-2-8-14(9-3-1)20-19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)21-19/h4-7,10-14H,1-3,8-9H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:19,18,20,1,2,9,10,17,21,6,8,3,11,16,5,7,4,12,14,15,13/E:(2,3)(8,9)/rA:21nCCCCCCCCCCCCNCNCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;s9;d10;s7s11;d12;d4s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H20N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3773 |
Area: | 469.111 |
Solvation: | -1.35052 |
Coulombic: | -20.7856 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 276.376 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.59 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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