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Chemical ID: 6918719
Chemical ID:
6918719
Name [?]:
None
SMILES [?]:
CN1CCc2c3ccccc3[nH]c2C1CC4CC5c6c(c7ccccc7[nH]6)CCN5CC4C=C
InChi [?]:
InChI=1/C30H34N4/c1-3-19-18-34-15-13-24-22-9-5-7-11-26(22)32-30(24)28(34)17-20(19)16-27-29-23(12-14-33(27)2)21-8-4-6-10-25(21)31-29/h3-11,19-20,27-28,31-32H,1,12-18H2,2H3
InChi Info:
AuxInfo=1/0/N:34,1,33,8,23,9,24,7,22,10,25,4,28,3,29,15,17,31,32,16,6,21,5,20,11,26,14,18,13,19,12,27,2,30/rA:34cCNCCCCCCCCCNCCCCCCCCCCCCCCNCCNCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d5s12;s2s13;s14;s15;s16;s17;s18;d19;s20;s21;d22;s23;d24;d21s25;s19s26;s20;s28;s18s29;s30;s16s31;s32;d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H34N4 |
All Atoms: | 68 |
Heavy Atoms: | 34 |
Chiral Atoms: | 6 |
ZAP Information [?]
Total: | 13.7241 |
Area: | 662.422 |
Solvation: | -2.83648 |
Coulombic: | -35.5802 |
Bond Count [?]
All: | 40 |
Single: | 31 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 450.618 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 5.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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